Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8230355 | 0.80 | RAB9A (0.51) | LMNAMAPK1RXFP1RAB9AMAPT | |
| SCHEMBL9735392 | 0.79 | NOTUM (0.42) | CYP3A4MAOAHPGDRAB9AMAPT | |
| SCHEMBL16291117 | 0.77 | CYP3A4 (0.41) | CYP1A2CYP3A4MAOAMAPK1HPGD | |
| SCHEMBL8328197 | 0.75 | MAPT (0.50) | LMNACYP1A2MAPK1RAB9AMAPT | |
| SCHEMBL9767917 | 0.73 | GAA (0.39) | LMNACYP1A2CYP3A4MAOAHPGD | |
| SCHEMBL8328287 | 0.73 | RAB9A (0.53) | LMNAMAPK1RAB9AMAPTNPC1 | |
| SCHEMBL2344443 | 0.72 | CYP1A2 (0.62) | LMNACYP1A2CYP3A4MAOAHPGD | |
| SCHEMBL13098589 | 0.72 | KMT2A (0.58) | LMNAMAPK1HPGDRXFP1RAB9A | |
| SCHEMBL9767957 | 0.71 | GAA (0.37) | CYP1A2CYP3A4MAOAHPGDALDH1A1 | |
| SCHEMBL11235783 | 0.71 | KMT2A (0.53) | LMNACYP1A2CYP3A4MAOAMAPK1 |
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 |