Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | DRD5 | P21918 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23929133 | 0.85 | DRD2 (0.41) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL22970938 | 0.81 | MAOA (0.57) | DRD1DRD2DRD3SIGMAR1KMT2A | |
| SCHEMBL23395314 | 0.81 | ESR1 (0.48) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL9433750 | 0.80 | DRD1 (0.48) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL9434302 | 0.79 | DRD1 (0.47) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL4764318 | 0.77 | DRD1 (0.51) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL8024197 | 0.76 | MAOA (0.60) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28239231 | 0.75 | OPRM1 (0.36) | DRD1HTR2C | |
| SCHEMBL28240049 | 0.75 | GRIN2B (0.36) | LMNA | |
| SCHEMBL30878525 | 0.74 | ESR1 (0.57) | DRD1CA1CA2CA9CA14 |
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-104903310-B | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 阵列生物制药公司 | 2018-08-14 | — | — | CN | disclosed |