Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TLK2 | Q86UE8 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TXN | P10599 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL269956 | 0.88 | — | — | |
| SCHEMBL3404045 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL218446 | 0.81 | — | — | |
| SCHEMBL27191623 | 0.75 | FAAH (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9368459 | 0.75 | FAAH (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL83280 | 0.75 | FAAH (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL83282 | 0.75 | FAAH (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Bromide SCHEMBL28549910 | 0.74 | FAAH (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL27233087 | 0.74 | KDM4E (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3405760 | 0.73 | NPC1 (0.39) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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-112174960-B | Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds | 吉利德科学公司 | 2023-10-10 | — | — | CN | disclosed |
| EP-2401264-A2 | PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | New York University (US) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098843-A2 | PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | NEW YORK UNIVERSITY (US) | 2010-09-02 | — | — | WO | disclosed |