Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23326406 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL23326404 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL20818345 | 0.79 | CYP2D6 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL7907392 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL23326566 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL21133181 | 0.78 | CYP3A4 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL29672766 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL23526013 | 0.78 | CYP3A4 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL21132678 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL30367066 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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 |
|---|---|---|---|---|---|---|---|
| CN-116425742-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114901662-A | Bicyclic heteroaryl compounds and uses thereof | 锐新医药公司 | 2022-08-12 | — | — | CN | disclosed |