Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL7447820 | 0.79 | SMN1; SMN2 (0.49) | ALDH1A1MAPK1KMT2ATSHRTDP1 | |
| SCHEMBL7618263 | 0.75 | TAAR1 (0.58) | ALDH1A1KMT2AGLATSHRLMNA | |
| SCHEMBL7876115 | 0.73 | SMN1; SMN2 (0.50) | ALDH1A1KMT2AMEN1GLATSHR | |
| SCHEMBL432658 | 0.73 | TDP1 (0.53) | ALDH1A1L3MBTL1MAPK1KMT2ATSHR | |
| SCHEMBL361779 | 0.72 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1MAPK1ENPP2KMT2A | |
| SCHEMBL29225340 | 0.71 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1MAPK1ENPP2KMT2A | |
| SCHEMBL5917187 | 0.71 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1MAPK1KMT2ATSHR | |
| SCHEMBL13939871 | 0.71 | DAO (0.45) | RAB9A | |
| SCHEMBL6784181 | 0.70 | ALDH1A1 (0.96) | ALDH1A1L3MBTL1MAPK1ENPP2KMT2A | |
| SCHEMBL2652042 | 0.70 | ALDH1A1 (0.79) | ALDH1A1L3MBTL1MAPK1ENPP2KMT2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017393-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | disclosed |
| EP-1017393-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1999011267-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-03-11 | — | — | WO | disclosed |
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |