Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CDC42 | P60953 | 1/20 | 0.41 |
| ▸ | RAC1 | P63000 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL837247 | 0.81 | TDP1 (0.44) | TDP1L3MBTL1PTGS2PTGS1AKR1C3 | |
| SCHEMBL4981399 | 0.80 | CYP2D6 (0.58) | RAB9AALDH1A1MAPK1TSHRCYP1A2 | |
| SCHEMBL31207283 | 0.78 | HPGD (0.48) | NPC1RAB9ACYP3A4HPGDTDP1 | |
| SCHEMBL1536363 | 0.75 | HTT (0.58) | NPC1RAB9ACYP3A4ALDH1A1HPGD | |
| SCHEMBL1922871 | 0.75 | PTGS2 (0.48) | RAB9ATDP1L3MBTL1PTGS2PTGS1 | |
| SCHEMBL31207244 | 0.75 | NPC1 (0.45) | TP53NPC1RAB9ACYP3A4ALDH1A1 | |
| SCHEMBL11197823 | 0.75 | NPC1 (0.55) | NPC1RAB9ACYP3A4ALDH1A1HPGD | |
| SCHEMBL9543804 | 0.73 | TP53 (0.46) | TP53NPC1RAB9ACYP3A4ALDH1A1 | |
| SCHEMBL9541390 | 0.72 | KDM4E (0.58) | NPC1RAB9ACYP3A4ALDH1A1HPGD | |
| SCHEMBL20204164 | 0.72 | TP53 (0.48) | TP53NPC1RAB9ACYP3A4ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993014086-A1 | SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1993-07-22 | — | — | WO | disclosed |