Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GSR | P00390 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9698299 | 0.84 | CA2 (0.39) | GABRR1CA2MAPK1 | |
| SCHEMBL9697318 | 0.82 | GPR84 (0.43) | — | |
| SCHEMBL9697182 | 0.81 | GABRR1 (0.36) | GABRR1GSR | |
| SCHEMBL9696252 | 0.81 | GABRR1 (0.36) | GABRR1GSR | |
| SCHEMBL9697699 | 0.77 | GABRR1 (0.48) | GABRR1GSR | |
| SCHEMBL10690992 | 0.71 | GABRR1 (0.38) | GABRR1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL7650582 | 0.67 | — | — | |
| SCHEMBL1604267 | 0.67 | TDP1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL13761133 | 0.67 | TDP1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4756190 | 0.67 | TDP1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5143908-A | Carboxylic acids containing amino and phosphinyl groups | MERCK & CO., INC. (US) | 1992-09-01 | — | — | US | claimed |
| US-5099063-A | 3-(1-aminoalkylphosphinyl)-(2-substituted)propionic acids | MERCK & CO., INC. (US) | 1992-03-24 | — | — | US | claimed |
| EP-0266978-A2 | Novel antibacterial agents and potentiators of carbapenem antibiotics | MERCK & CO. INC. (US) | 1988-05-11 | — | — | EP | claimed |
| US-5143908-A | Carboxylic acids containing amino and phosphinyl groups | MERCK & CO., INC. (US) | 1992-09-01 | — | — | US | disclosed |
| US-5099063-A | 3-(1-aminoalkylphosphinyl)-(2-substituted)propionic acids | MERCK & CO., INC. (US) | 1992-03-24 | — | — | US | disclosed |
| US-4715994-A | PHOSPHINIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1987-12-29 | — | — | US | disclosed |