Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.40 |
| ▸ | HTR3B | O95264 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 3/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 5/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29168096 | 1.00 | PNMT (0.44) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29168113 | 0.81 | CTSL (0.44) | PNMTPPARAPPARGCTSLKMT2A | |
| SCHEMBL29168248 | 0.77 | PPARG (0.47) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29168249 | 0.77 | PPARG (0.47) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28642289 | 0.76 | PNMT (0.44) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28642291 | 0.76 | PNMT (0.44) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28951569 | 0.74 | IDO1 (0.53) | PNMTIDO1GRIN2B | |
| SCHEMBL6071337 | 0.73 | PNMT (0.54) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28558905 | 0.73 | LDHA (0.49) | PPARAPPARGCYP3A4 | |
| SCHEMBL28558904 | 0.73 | LDHA (0.49) | PPARAPPARGCYP3A4 |
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 |