Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 3/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.38 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL173509 | 1.00 | TSHR (0.42) | TSHRCYP1A2CYP2A6AKR1B1S1PR4 | |
| SCHEMBL11190798 | 1.00 | TSHR (0.42) | TSHRCYP1A2CYP2A6AKR1B1S1PR4 | |
| Acetic Acid SCHEMBL29643381 | 0.97 | S1PR4 (0.40) | TSHRCYP1A2CYP2A6AKR1B1S1PR4 | |
| SCHEMBL3865662 | 0.87 | PYGL (0.41) | CYP1A2AKR1B1S1PR4USP2ALDH1A1 | |
| SCHEMBL10407389 | 0.85 | MAPT (0.43) | TSHRCYP1A2CYP2A6S1PR4KCNJ11 | |
| SCHEMBL10407390 | 0.85 | MAPT (0.43) | TSHRCYP1A2CYP2A6S1PR4KCNJ11 | |
| SCHEMBL1627739 | 0.83 | KCNJ11 (0.43) | CYP1A2AKR1B1KCNJ11G6PDUSP2 | |
| SCHEMBL680370 | 0.83 | AKR1B1 (0.40) | TSHRAKR1B1KCNJ11G6PDUSP2 | |
| SCHEMBL11156411 | 0.82 | ELANE (0.51) | POLBALDH1A1 | |
| SCHEMBL1818692 | 0.82 | ALDH1A1 (0.47) | TSHRCYP1A2AKR1B1USP2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699074-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | claimed |
| US-5672582-A | ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES | MERCK & CO., INC. (US) | 1997-09-30 | — | — | US | claimed |
| WO-1996011697-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1996-04-25 | — | — | WO | claimed |
| US-5672582-A | ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES | MERCK & CO., INC. (US) | 1997-09-30 | — | — | US | disclosed |
| WO-1996011697-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1996-04-25 | — | — | WO | disclosed |