Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4366744 | 0.87 | ROCK2 (0.53) | CA12CA1CA2CA9METAP1 | |
| SCHEMBL4363701 | 0.83 | ROCK2 (0.52) | CA12CA9METAP1SMN1; SMN2KDM4E | |
| SCHEMBL4364874 | 0.82 | METAP1 (0.47) | METAP1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL4368840 | 0.81 | METAP1 (0.47) | METAP1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL4366096 | 0.81 | METAP1 (0.47) | METAP1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL4367821 | 0.81 | EPHX1 (0.48) | CA12CA1CA2CA9METAP1 | |
| SCHEMBL4376161 | 0.79 | TRPV1 (0.45) | METAP1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL4364774 | 0.79 | ROCK2 (0.51) | METAP1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL4366083 | 0.79 | ROCK2 (0.51) | METAP1SMN1; SMN2KDM4ENPC1TP53 | |
| SCHEMBL4368853 | 0.78 | SMN1; SMN2 (0.50) | METAP1SMN1; SMN2KDM4ENPC1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581217-A4 | CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO INC (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1581217-A1 | CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004041277-A1 | CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |