Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9171989 | 0.82 | TSHR (0.45) | KDM4EL3MBTL1TP53CYP3A4CYP2C9 | |
| SCHEMBL23256884 | 0.78 | MCL1 (0.42) | MCL1SLC18A3MAPTALDH1A1L3MBTL1 | |
| SCHEMBL11484366 | 0.73 | MT-CO2 (0.44) | MCL1SLC18A3KMT2AMAPTALDH1A1 | |
| SCHEMBL22831008 | 0.73 | SLC6A2 (0.50) | KMT2AALDH1A1CYP3A4POLB | |
| SCHEMBL22831009 | 0.73 | SLC6A2 (0.50) | KMT2AALDH1A1CYP3A4POLB | |
| SCHEMBL22831007 | 0.73 | SLC6A2 (0.50) | KMT2AALDH1A1CYP3A4POLB | |
| SCHEMBL18088734 | 0.72 | CYP3A4 (0.53) | KMT2AALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL11475259 | 0.71 | SLC18A3 (0.41) | MCL1SLC18A3KMT2AMAPTALDH1A1 | |
| SCHEMBL9169697 | 0.71 | SLC18A3 (0.41) | SLC18A3PTGS1PTGS2 | |
| SCHEMBL8390909 | 0.68 | MEN1 (0.50) | MCL1HTTKMT2AALDH1A1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387595-A | Antiinflammatory agents | MERCK & CO., INC. (US) | 1995-02-07 | — | — | US | disclosed |
| WO-1994004487-A1 | ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-03-03 | — | — | WO | disclosed |