Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30418101 | 0.85 | TAAR1 (0.47) | CYP2A6MAOBANPEPMAOATAAR1 | |
| SCHEMBL28024975 | 0.83 | MAOB (0.57) | CYP2A6MAOBANPEPMAOA | |
| SCHEMBL16143105 | 0.82 | HTT (0.54) | MAOBUSP2HPGDTSHRL3MBTL1 | |
| SCHEMBL6057087 | 0.82 | MAOA (0.58) | MAOBANPEPMAOA | |
| SCHEMBL31468135 | 0.81 | MAOB (0.50) | CYP2A6MAOBANPEPMAOAHTT | |
| SCHEMBL28024514 | 0.80 | ALDH1A1 (0.51) | CYP2A6HPGDL3MBTL1PTGDR2MEN1 | |
| SCHEMBL28386633 | 0.80 | DAO (0.49) | CYP2A6MAOBUSP2HPGDL3MBTL1 | |
| SCHEMBL28386632 | 0.80 | RAB9A (0.53) | CYP2A6MAOBHPGDL3MBTL1MEN1 | |
| SCHEMBL1710411 | 0.79 | MAPT (0.54) | MAOBMEN1KMT2AMAOAHTT | |
| SCHEMBL19629067 | 0.79 | MAOA (0.41) | CYP2A6MAOBHPGDANPEPMEN1 |
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-104892471-B | Substance having protein tyrosine kinase inhibitory activity, preparation method and use thereof | 中国人民解放军军事医学科学院放射与辐射医学研究所 | 2020-03-27 | — | — | CN | disclosed |
| CN-104892471-A | Substances having protein tyrosine kinase inhibitory activity, and preparation method and use thereof | INST RADIATION MED AMMS PLA | 2015-09-09 | — | — | CN | disclosed |