Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL7257394 | 0.91 | ALDH1A1 (0.43) | ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E | |
| SCHEMBL23555970 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL26731120 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E | |
| SCHEMBL5159873 | 0.69 | KDM4E (0.50) | ALDH1A1CYP3A4KDM4ETDP1CA1 | |
| SCHEMBL2601901 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP3A4KDM4ETDP1CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28740008 | 0.68 | ALDH1A1 (0.92) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28416912 | 0.68 | ALDH1A1 (0.92) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28557531 | 0.68 | ALDH1A1 (0.92) | ALDH1A1CYP3A4CYP1A1CYP1B1CA1 | |
| SCHEMBL7235768 | 0.67 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP1A1CYP1B1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056434-A1 | DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE | L'OREAL (FR) | 2000-12-06 | — | — | EP | disclosed |
| WO-2000038639-A1 | DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE | L'OREAL (FR) | 2000-07-06 | — | — | WO | disclosed |