Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3308016 | 1.00 | ADORA3 (0.44) | ADORA3NR1I2PGRPTGS2PDE4D | |
| Hydrochloric Acid SCHEMBL6570130 | 0.98 | NR1I2 (0.42) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6571452 | 0.98 | NR1I2 (0.42) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6570227 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 | |
| SCHEMBL6570327 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 | |
| SCHEMBL1644144 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 | |
| SCHEMBL1943740 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 | |
| SCHEMBL1644141 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 | |
| SCHEMBL1943742 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 | |
| SCHEMBL6570230 | 0.85 | FAAH (0.54) | ADORA3PGRCYP3A4TDP1ALOX15 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118091-B1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | JANSSEN SCIENCES IRELAND UC (IE) | 2015-04-15 | — | — | EP | disclosed |
| US-8937080-B2 | Pyrimidine substituted macrocyclic HCV inhibitors | MEDIVIR AB (SE) | 2015-01-20 | — | — | US | disclosed |
| EP-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |
| US-20100113440-A1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | TIBOTEC PHARMACEUTICALS, LTD. (IE) | 2010-05-06 | — | — | US | disclosed |
| EP-2118091-A1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | Tibotec Pharmaceuticals (IE) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008095999-A1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-08-14 | — | — | WO | disclosed |
| EP-1455809-A2 | INHIBITORS OF HEPATITIS C VIRUS | Bristol-Myers Squibb Company (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053349-A2 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | 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 (1 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-20100113440-A1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | NUDT1, PNP, SLC28A1 | ADORA3 2631/4885NR1I2 818/4885PGR 1947/4885 |
“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.