Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | STS | P08842 | 2/20 | 0.49 |
| ▸ | UGT1A4 | P22310 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14647056 | 0.91 | CYP19A1 (0.76) | CYP19A1HDAC1HDAC6CYP11B1CYP11B2 | |
| SCHEMBL10066953 | 0.83 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6STSUGT1A4 | |
| SCHEMBL14496521 | 0.83 | CYP19A1 (0.57) | CYP19A1HDAC1HDAC6STS | |
| SCHEMBL1790853 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6CYP11B1CYP11B2 | |
| SCHEMBL30084169 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6CYP11B1CYP11B2 | |
| SCHEMBL2401045 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6CYP11B1CYP11B2 | |
| SCHEMBL27828942 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6STS | |
| SCHEMBL19599019 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6STS | |
| SCHEMBL305624 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6CYP11B1CYP11B2 | |
| SCHEMBL27925312 | 0.80 | CYP19A1 (0.65) | CYP19A1HDAC1HDAC6STS |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9150519-B2 | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2015-10-06 | — | — | US | disclosed |
| EP-2590950-B1 | N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-15 | — | — | EP | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES, INC. (US) | 2013-08-08 | — | — | US | disclosed |
| US-20130109669-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2013-05-02 | — | — | US | disclosed |
| US-8399448-B2 | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2013-03-19 | — | — | US | disclosed |
| US-8338441-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-8338441-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-20120165322-A1 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | US | disclosed |
| WO-2010130034-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-20100256357-A1 | HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE | AGOURON PHARMACEUTICALS, INC. | 2010-10-07 | — | — | US | disclosed |
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | MERCK SERONO SA (CH) | 2010-08-19 | — | — | US | disclosed |
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | MERCK SERONO SA (CH) | 2010-08-19 | — | — | US | disclosed |
| WO-2009019167-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2009-02-12 | — | — | WO | disclosed |
| WO-2001064825-A1 | BLEACHING COMPOSITION AND METHOD FOR BLEACHING LAUNDRY FABRICS | UNILEVER PLC (GB) | 2001-09-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100210619-A1 | 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis | S1PR1, S1PR5, S1PR3 | CYP19A1 4612/4885HDAC1 2239/4885HDAC6 3623/4885 |
| US-20130109669-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | S1PR1, S1PR5, S1PR3 | CYP19A1 4554/4885HDAC1 2128/4885HDAC6 3716/4885 |
| US-20100292227-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | CYP19A1 2000/4885HDAC1 351/4885HDAC6 2159/4885 |
| US-20100256357-A1 | HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE | CA2, CA7, CA9 | CYP19A1 1130/4885HDAC1 176/4885HDAC6 405/4885 |
| US-20120165322-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, RHOA | CYP19A1 1898/4885HDAC1 1546/4885HDAC6 544/4885 |
| US-20130203747-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | RTF2, REV1, RTF1 | CYP19A1 2000/4885HDAC1 351/4885HDAC6 2159/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.