Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | STAT6 | P42226 | 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 | |
|---|---|---|---|---|
| SCHEMBL3980207 | 0.77 | TSHR (0.54) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL438752 | 0.77 | CYP3A4 (0.50) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL11657285 | 0.77 | ALDH1A1 (0.50) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL29835178 | 0.77 | CYP3A4 (0.50) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL786237 | 0.77 | CYP3A4 (0.50) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL1413188 | 0.76 | AHR (0.45) | MAPK1TSHRALDH1A1CA12CA9 | |
| SCHEMBL9180125 | 0.76 | TSHR (0.62) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL28012095 | 0.76 | CYP3A4 (0.49) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL441605 | 0.74 | CA12 (0.47) | MAPK1TSHRALDH1A1CYP3A4VCAM1 | |
| SCHEMBL5608736 | 0.74 | TSHR (0.40) | MAPK1TSHRALDH1A1CYP3A4VCAM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6166082-A | Substituted 5-biarylpentanoic acids and derivatives as matrix metalloprotease inhibitors | BAYER CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |