Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364434 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL7363732 | 0.77 | CA12 (0.40) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL15701009 | 0.65 | HDAC6 (0.41) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL18649821 | 0.60 | MITF (0.39) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL2831481 | 0.60 | ALDH1A1 (0.52) | ALDH1A1KDM4E | |
| SCHEMBL14876183 | 0.59 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPSR1CYP1A2CYP3A4 | |
| SCHEMBL3584205 | 0.59 | GSK3A (0.46) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL15030294 | 0.58 | KDM4E (0.42) | ALDH1A1KDM4E | |
| SCHEMBL17124972 | 0.57 | MITF (0.37) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL6028622 | 0.57 | ROCK2 (0.36) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1117660-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1117660-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-07-25 | — | — | EP | disclosed |
| US-6117888-A | N-((2-AMINO-6-METHYLPYRID-5YL)METHYLAMINOCARBONYLMETHYL)PYRIDO NE-4-SULFONAMIDES | MERCK & CO., INC. (US) | 2000-09-12 | — | — | US | disclosed |
| WO-2000018762-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-04-06 | — | — | WO | disclosed |