Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 8/20 | 0.44 |
| ▸ | MAOA | P21397 | 6/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27397175 | 0.85 | CYP19A1 (0.46) | MAOBMAOACYP19A1MAPTALDH1A1 | |
| SCHEMBL11510146 | 0.84 | CYP19A1 (0.59) | MAOBMAOACYP19A1MAPTRAB9A | |
| Benzene SCHEMBL28086974 | 0.84 | CYP19A1 (0.59) | MAOBMAOACYP19A1MAPTRAB9A | |
| SCHEMBL11510148 | 0.84 | CYP19A1 (0.59) | MAOBMAOACYP19A1MAPTRAB9A | |
| Benzene SCHEMBL27596625 | 0.84 | CYP19A1 (0.45) | MAOBMAOACYP19A1MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL27479949 | 0.83 | CYP19A1 (0.57) | TDP1MAOBMAOACYP19A1MAPT | |
| Phenoxyethanol SCHEMBL27396634 | 0.80 | ALDH1A1 (0.50) | MAOBMAOACYP19A1MAPTRAB9A | |
| Toluene SCHEMBL27930864 | 0.77 | CYP19A1 (0.50) | MAOBMAOACYP19A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27635492 | 0.77 | CYP19A1 (0.46) | TDP1MAOBMAOACYP19A1MAPT | |
| Isopropylbenzene SCHEMBL27492318 | 0.74 | CYP19A1 (0.50) | MAOBMAOACYP19A1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1907253-A | Composition comprising amino heterocyclic compound for hair dyeing and dyeing method | SU JIANHUA (CN) | 2007-02-07 | — | — | CN | disclosed |