Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7365127 | 0.85 | PGK1 (0.41) | F2LMNATDP1KDM4EALDH1A1 | |
| SCHEMBL7876300 | 0.80 | F2 (0.42) | F2TDP1KDM4EALDH1A1MAPT | |
| SCHEMBL6989545 | 0.80 | GPR84 (0.41) | KDM4EALDH1A1MAPTSMN1; SMN2APP | |
| Trifluoroacetic Acid SCHEMBL7867367 | 0.78 | F2 (0.39) | F2TDP1KDM4EALDH1A1MAPT | |
| SCHEMBL7452376 | 0.72 | MEN1 (0.38) | LMNAKDM4EALDH1A1MAPTHTT | |
| SCHEMBL7016783 | 0.72 | F2 (0.49) | F2KDM4EALDH1A1MAPTPGK1 | |
| Betahistine SCHEMBL20657056 | 0.69 | HRH3 (0.73) | LMNATDP1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL7363341 | 0.69 | F2 (0.47) | F2KDM4EALDH1A1MAPTPGK1 | |
| SCHEMBL30136531 | 0.69 | CYP1A2 (0.48) | LMNATDP1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7408816 | 0.68 | GABRR1 (0.37) | LMNAKDM4EPIM1 |
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-1267876-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001070229-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2001-09-27 | — | — | WO | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |