Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | FABP2 | P12104 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2833630 | 0.89 | CYP3A4 (0.33) | LMNAALDH1A1CES1CLCN2CYP3A4 | |
| SCHEMBL8389325 | 0.83 | LMNA (0.37) | LMNAALDH1A1CES1CDK1CCNB1 | |
| SCHEMBL1063904 | 0.77 | CES1 (0.38) | ALDH1A1CES1MAPT | |
| SCHEMBL29907223 | 0.74 | SLC40A1 (0.44) | LMNAALDH1A1KMT2AMEN1AKR1C3 | |
| SCHEMBL1411738 | 0.74 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1MAPK1CYP3A4 | |
| SCHEMBL154899 | 0.74 | SLC40A1 (0.44) | LMNAALDH1A1KMT2AMEN1AKR1C3 | |
| SCHEMBL30365121 | 0.72 | CYP3A4 (0.33) | ALDH1A1KMT2AMEN1CHRM1TBXA2R | |
| SCHEMBL3186957 | 0.72 | CYP3A4 (0.33) | ALDH1A1KMT2AMEN1CHRM1TBXA2R | |
| SCHEMBL4091751 | 0.70 | TDP2 (0.39) | LMNAALDH1A1KMT2AMEN1MAPK1 | |
| SCHEMBL197948 | 0.70 | CES1 (0.44) | ALDH1A1CES1MAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611810-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| US-8357717-B2 | Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity | GRUENENTHAL GMBH (DE) | 2013-01-22 | — | — | US | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-20120058999-A1 | Substituted Tetrahydropyrrolopyrazine Compounds | GRUENENTHAL GMBH (DE) | 2012-03-08 | — | — | US | disclosed |
| WO-2012028331-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-20100234340-A1 | Substituted Spiroamide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| EP-0511826-B1 | Phosphosulfonate herbicides | ROHM & HAAS (US) | 1997-07-16 | — | — | EP | disclosed |
| US-5500405-A | Phosphosulfonate herbicides | ROHM AND HAAS COMPANY (US) | 1996-03-19 | — | — | US | disclosed |
| US-5272128-A | Phosphosulfonate herbicides | ROHM AND HAAS COMPANY (US) | 1993-12-21 | — | — | US | disclosed |
| EP-0511826-A2 | Phosphosulfonate herbicides | ROHM AND HAAS COMPANY (US) | 1992-11-04 | — | — | EP | 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 (3 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-20120058999-A1 | Substituted Tetrahydropyrrolopyrazine Compounds | BDKRB1, BDKRB2, LTB4R | LMNA 1806/4885ALDH1A1 2754/4885CES1 2213/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | LMNA 3222/4885ALDH1A1 2375/4885CES1 3535/4885 |
| US-20100234340-A1 | Substituted Spiroamide Compounds | BDKRB1, BDKRB2, AVPR1B | LMNA 553/4885ALDH1A1 1303/4885CES1 2803/4885 |
“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.