Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.37 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29034722 | 0.83 | PNMT (0.55) | PNMTCYP3A4IDO1AGXTCTSL | |
| SCHEMBL9621418 | 0.82 | TRPA1 (0.40) | TAAR1 | |
| SCHEMBL21367138 | 0.77 | CYP3A4 (0.56) | PNMTCYP3A4IDO1AGXTTAAR1 | |
| SCHEMBL6203638 | 0.77 | PNMT (0.58) | PNMTCYP3A4IDO1AGXTTSHR | |
| SCHEMBL16798290 | 0.74 | CTSL (0.42) | PNMTCTSLRIPK1SLC16A3MCTS1 | |
| SCHEMBL9063602 | 0.72 | AOC3 (0.43) | IDO1 | |
| SCHEMBL15413373 | 0.72 | TAAR1 (0.46) | PNMTCYP3A4IDO1AGXTTAAR1 | |
| SCHEMBL24628719 | 0.71 | TAAR1 (0.42) | IDO1AGXTTAAR1 | |
| SCHEMBL19415420 | 0.71 | CYP2B6 (0.36) | ALDH1A1 | |
| SCHEMBL2427261 | 0.71 | PNMT (0.69) | PNMTCYP3A4IDO1AGXTTSHR |
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-112638917-A | Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compounds, and methods of use thereof | 捷思英达控股有限公司 | 2021-04-09 | — | — | CN | disclosed |
| CN-111032656-A | Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof | 捷思英达医药技术（上海）有限公司 | 2020-04-17 | — | — | CN | disclosed |