Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CTSG | P08311 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28818582 | 0.83 | KMT2A (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1325659 | 0.78 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL6405535 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9950211 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL19514728 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL9950214 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL30861790 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL598905 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL1561677 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL31332147 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A |
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-4028118-A | AN ELECTRON-DONATING CHROMATIC COMPOUND, A PHENOLIC COMPOUND, A HIGHER ALIPHATIC ALCOHOL AND ESTER | PILOT INK CO., LTD. (JA) | 1977-06-07 | — | — | US | claimed |