Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL514334 | 0.74 | CA12 (0.35) | — | |
| SCHEMBL3378262 | 0.74 | MAOB (0.39) | ALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL767227 | 0.74 | ALDH1A1 (0.40) | TSHRALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL2517288 | 0.70 | ALDH1A1 (0.46) | CYP3A4TSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL767512 | 0.69 | CA1 (0.39) | TSHRALDH1A1KDM4EGAA | |
| SCHEMBL21296179 | 0.69 | ADORA3 (0.40) | NPC1RAB9ATSHRALDH1A1HPGD | |
| SCHEMBL5543627 | 0.69 | EPHX2 (0.32) | KDM4EKMT2A | |
| SCHEMBL315654 | 0.69 | CYP2A6 (0.47) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL4622015 | 0.67 | ADORA3 (0.37) | NPC1RAB9ACYP3A4TSHRALDH1A1 | |
| SCHEMBL5544622 | 0.67 | — | — |
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-2007039146-A1 | 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |