Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.38 |
| ▸ | HTR3B | O95264 | 3/20 | 0.38 |
| ▸ | HTR3A | P46098 | 3/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL29168316 | 1.00 | PNMT (0.42) | PNMTHCAR2HTR3EHTR3BHTR3A | |
| SCHEMBL29168015 | 0.82 | CTSL (0.41) | PNMTHCAR2 | |
| SCHEMBL29168183 | 0.79 | PPARG (0.38) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL29168184 | 0.79 | PPARG (0.38) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL28951569 | 0.78 | IDO1 (0.53) | PNMTIDO1 | |
| SCHEMBL29168179 | 0.75 | KDM4E (0.39) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29168176 | 0.75 | KDM4E (0.39) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29168307 | 0.74 | PARP10 (0.31) | — | |
| SCHEMBL29168305 | 0.74 | PARP10 (0.31) | — | |
| SCHEMBL4590413 | 0.69 | PNMT (0.44) | PNMTHCAR2HTR3EHTR3BHTR3A |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |