Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.71 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.71 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.71 |
| ▸ | DRD1 | P21728 | 1/20 | 0.71 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.71 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.71 |
| ▸ | DRD3 | P35462 | 1/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
| ▸ | HTR7 | P34969 | 11/20 | 0.60 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128738 | 0.96 | HTR1A (0.66) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL7587470 | 0.91 | HTR1A (0.74) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL8121534 | 0.90 | HTR1A (0.88) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL8121051 | 0.90 | HTR1A (0.88) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL8943053 | 0.89 | HTR1A (0.86) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL8126688 | 0.87 | HTR7 (0.74) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| SCHEMBL6606413 | 0.85 | HTR1A (0.74) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL30249132 | 0.84 | HTR1A (1.00) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL29399513 | 0.84 | HTR1A (1.00) | HTR1AABCB11ADRA2AADORA3CHRM1 | |
| Flibanserin SCHEMBL247579 | 0.84 | HTR1A (1.00) | HTR1AABCB11ADRA2AADORA3CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993003016-A1 | BENZIMIDAZOLONE DERIVATIVES AS 5-HT1A AND 5-HT2 ANTAGONISTS | BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) | 1993-02-18 | — | — | WO | claimed |