Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MCOLN2 | Q8IZK6 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9726610 | 0.69 | HMGCR (0.39) | CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL10426434 | 0.68 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19MCOLN2 | |
| SCHEMBL6575951 | 0.66 | MAOB (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL28976472 | 0.66 | HCAR3 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MCOLN2 | |
| SCHEMBL3402801 | 0.64 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL149582 | 0.64 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8648199 | 0.63 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8648195 | 0.63 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL10610677 | 0.63 | TRPA1 (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL4388711 | 0.62 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A |
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-4897490-A | DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE | BRISTOL-MEYERS COMPANY (US) | 1990-01-30 | — | — | US | disclosed |