Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL949772 | 0.93 | NPC1 (0.51) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL7283277 | 0.90 | NPC1 (0.52) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL7342183 | 0.90 | NPC1 (0.56) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL948055 | 0.86 | NPC1 (0.53) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL4416727 | 0.82 | NPC1 (0.62) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL5113764 | 0.79 | NPC1 (0.54) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL6556065 | 0.79 | NPC1 (0.53) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL7201414 | 0.75 | MAOB (0.59) | NPC1RAB9AMAOBCASP3POLB | |
| SCHEMBL7276441 | 0.74 | ALDH1A1 (0.51) | NPC1RAB9AMAOBCASP3SMN1; SMN2 | |
| SCHEMBL9339127 | 0.74 | TNKS (0.45) | SMN1; SMN2PLAUNAAA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0969840-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-02-28 | — | — | EP | disclosed |
| EP-0969840-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5932606-A | Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors | MERCK & CO., INC. (US) | 1999-08-03 | — | — | US | disclosed |
| EP-0835109-A4 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO INC (US) | 1999-02-03 | — | — | EP | disclosed |
| WO-1998042342-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-10-01 | — | — | WO | disclosed |
| US-5744486-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0835109-A1 | PYRIDINONE-THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1998-04-15 | — | — | EP | disclosed |
| US-5668289-A | Pyridinone thrombin inhibitors | MERCK & CO., INC. (US) | 1997-09-16 | — | — | US | disclosed |
| WO-1997001338-A1 | PYRIDINONE-THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-01-16 | — | — | WO | disclosed |