Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MGMT | P16455 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20889598 | 0.81 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPTMMEPIK3CD | |
| SCHEMBL27430993 | 0.78 | POLA1 (0.39) | ALDH1A1KDM4EALOX5APFEN1BRD4 | |
| SCHEMBL29658121 | 0.77 | ALDH1A1 (0.33) | ALDH1A1KDM4EMMEPRKCIPIK3CD | |
| SCHEMBL18393529 | 0.74 | POLA1 (0.45) | MAPTTDP1 | |
| SCHEMBL30770845 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTAPEX1RECQL | |
| SCHEMBL3229989 | 0.71 | KDM4E (0.50) | ALDH1A1KDM4EMAPTAPEX1RECQL | |
| SCHEMBL28013794 | 0.70 | ALOX5AP (0.31) | ALOX5APFEN1 | |
| SCHEMBL324999 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTAPEX1RECQL | |
| SCHEMBL324998 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTAPEX1RECQL | |
| SCHEMBL21906548 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTAPEX1RECQL |
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 |