Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 3/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | ATF1 | P18846 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1819205 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL16395600 | 0.77 | KMT2A (0.49) | KMT2AATMSMN1; SMN2MAPTLMNA | |
| SCHEMBL6422179 | 0.74 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL1891278 | 0.74 | OPRK1 (0.46) | L3MBTL1SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL18247611 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19IDO1TDO2 | |
| SCHEMBL8321765 | 0.73 | PDK1 (0.45) | CYP1A2CYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL1819520 | 0.73 | PKM (0.57) | CYP1A2CYP2C9CYP2C19PDK1PDK2 | |
| SCHEMBL18247535 | 0.72 | ATM (0.53) | CYP1A2CYP2C9CYP2C19L3MBTL1ATM | |
| SCHEMBL22959274 | 0.72 | CA12 (0.49) | CYP1A2CYP2C9CYP2C19PDK2PDK4 | |
| SCHEMBL5781494 | 0.72 | ATM (0.47) | KMT2AATMMAPTOPRK1 |
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-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |