Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28979236 | 1.00 | MAOA (0.42) | MAOAMAOBBRD4CREBBPDRD2 | |
| SCHEMBL28978973 | 0.73 | BRD4 (0.38) | MAOAMAOBBRD4CREBBPDRD2 | |
| SCHEMBL24359313 | 0.71 | HTR5A (0.42) | CYP1A2MAPTABCG2 | |
| SCHEMBL28313516 | 0.70 | CYP19A1 (0.54) | MAOAMAOBESR2ESR1CYP19A1 | |
| SCHEMBL28978985 | 0.70 | CREBBP (0.50) | MAOAMAOBBRD4CREBBPCA12 | |
| SCHEMBL30293263 | 0.70 | CREBBP (0.50) | MAOAMAOBBRD4CREBBPCA12 | |
| SCHEMBL19391 | 0.69 | AHR (0.67) | MAOAMAOBDRD2DRD4AHR | |
| SCHEMBL7073283 | 0.68 | HSD17B1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL426336 | 0.68 | NPC1 (0.55) | MAOAMAOBBRD4DRD2DRD4 | |
| Methane SCHEMBL9732811 | 0.68 | AHR (0.65) | MAOAMAOBAHRPDE3BPDE3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109988093-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-04-07 | — | — | CN | disclosed |