Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 6/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23645474 | 1.00 | MAPK1 (0.37) | MAPK1ALDH1A1HTR2AMAOAMAOB | |
| SCHEMBL23645675 | 0.79 | ALDH1A1 (0.38) | MAPK1ALDH1A1SMN1; SMN2AVPR1A | |
| SCHEMBL14707059 | 0.78 | HTR2A (0.44) | MAPK1HTR2AMAOBSMN1; SMN2SLC18A3 | |
| SCHEMBL30291308 | 0.77 | SIGMAR1 (0.39) | MAPK1ALDH1A1HTR2AMAOAMAOB | |
| SCHEMBL23644292 | 0.77 | SIGMAR1 (0.39) | MAPK1ALDH1A1HTR2AMAOAMAOB | |
| SCHEMBL23645684 | 0.75 | ALDH1A1 (0.36) | MAPK1ALDH1A1AVPR1A | |
| SCHEMBL30291304 | 0.75 | ALDH1A1 (0.36) | MAPK1ALDH1A1AVPR1A | |
| SCHEMBL23645472 | 0.69 | SIGMAR1 (0.36) | HTR2AKCNH2GRIN2BSLC18A3SIGMAR1 | |
| SCHEMBL3013232 | 0.66 | HRH1 (0.57) | HTR2AMAOAKCNH2 | |
| SCHEMBL7751714 | 0.64 | TSHR (0.31) | — |
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-113087700-B | Spirocyclic tetrahydroquinazolines | 苏州亚盛药业有限公司 | 2023-03-14 | — | — | CN | disclosed |