Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 5/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11937052 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL5873318 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL14491179 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL14408396 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL12294221 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL5195266 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL7008365 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL13021500 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL13808643 | 0.91 | ALDH1A1 (0.58) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 | |
| SCHEMBL30825214 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH3A1ALDH1A3CYP2A13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111548304-A | Derivative based on triphenylamine and preparation method and application thereof | 百合花集团股份有限公司 | 2020-08-18 | — | — | CN | claimed |
| CN-111548304-B | Triphenylamine-based derivative, preparation method and application | 百合花集团股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-111548304-A | Derivative based on triphenylamine and preparation method and application thereof | 百合花集团股份有限公司 | 2020-08-18 | — | — | CN | disclosed |