Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7921525 | 0.88 | KDM4E (0.57) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7849332 | 0.86 | KDM4E (0.51) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8385229 | 0.86 | KDM4E (0.51) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4551259 | 0.86 | HPGD (0.57) | KDM4ENPC1RAB9ACA1CA2 | |
| SCHEMBL896633 | 0.86 | KDM4E (0.51) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13469244 | 0.86 | KDM4E (0.58) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL6382403 | 0.85 | CYP1A2 (0.44) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3089078 | 0.85 | ALDH1A1 (0.47) | NPC1RAB9AHSD17B10ALDH1A1HPGD | |
| SCHEMBL21464329 | 0.85 | KDM4E (0.51) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5730634 | 0.84 | ALDH1A1 (0.62) | KDM4ECYP1A2CYP2C19NPC1RAB9A |
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-4444567-A | ALKOXY BENZALDEHYDES, ALKOXY BENZOATES | PHILLIPS PETROLEUM COMPANY (US) | 1984-04-24 | — | — | US | disclosed |