Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7214686 | 1.00 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDPOLBRAB9A | |
| SCHEMBL7214687 | 1.00 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDPOLBRAB9A | |
| SCHEMBL7214293 | 0.78 | KDM4E (0.53) | ALDH1A1KDM4ERAB9AMEN1KMT2A | |
| SCHEMBL2828050 | 0.77 | KDM4E (0.54) | ALDH1A1KDM4ERAB9AMEN1KMT2A | |
| SCHEMBL7220336 | 0.76 | POLB (0.62) | ALDH1A1KDM4EPOLBRAB9AMEN1 | |
| SCHEMBL2827984 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KDM4ERAB9AMEN1KMT2A | |
| SCHEMBL11277508 | 0.74 | KDM4E (0.58) | ALDH1A1KDM4EHPGDRAB9AMEN1 | |
| SCHEMBL7216109 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ERAB9AMEN1KMT2A | |
| SCHEMBL7216097 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ERAB9AMEN1KMT2A | |
| SCHEMBL7216103 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ERAB9AMEN1KMT2A |
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 |