Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | MMP9 | P14780 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 8/20 | 0.34 |
| ▸ | CA2 | P00918 | 8/20 | 0.34 |
| ▸ | CA9 | Q16790 | 8/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11252152 | 0.94 | TSHR (0.58) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL31704435 | 0.93 | TSHR (0.54) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL23292770 | 0.92 | TSHR (0.58) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL23292777 | 0.90 | TSHR (0.56) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL23292793 | 0.90 | TSHR (0.56) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL2766162 | 0.90 | KDM4E (0.56) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL23292767 | 0.90 | TSHR (0.56) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL23292807 | 0.90 | TSHR (0.56) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL27578408 | 0.87 | TSHR (0.47) | TSHRALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL2766625 | 0.86 | ALDH1A1 (0.54) | TSHRALDH1A1KDM4EUSP2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |