Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL8134538 | 0.86 | KCNN4 (0.43) | SMN1; SMN2HTR2AHTR2CADRA1AOPRK1 | |
| SCHEMBL28044647 | 0.81 | CYP2C9 (0.52) | CYP2C9LMNAALDH1A1CHRM2CHRM1 | |
| SCHEMBL5709851 | 0.78 | BID (0.47) | — | |
| SCHEMBL9447535 | 0.76 | CYP2C9 (0.50) | SMN1; SMN2CYP2C9LMNAALDH1A1CHRM2 | |
| Benzylic Acid SCHEMBL7066 | 0.73 | CYP2C9 (0.74) | SMN1; SMN2CYP2C9LMNAALDH1A1CHRM2 | |
| SCHEMBL8727229 | 0.72 | CYP2C9 (0.42) | SMN1; SMN2CYP2C9LMNAALDH1A1CHRM2 | |
| SCHEMBL9138850 | 0.72 | OPRM1 (0.35) | SMN1; SMN2HTR2AHTR2CADRA1AOPRK1 | |
| SCHEMBL3062147 | 0.72 | TAAR1 (0.55) | HTR2AHTR2CKCNH2TAAR1ALDH1A1 | |
| Benzylic Acid SCHEMBL4823051 | 0.71 | CYP2C9 (0.65) | SMN1; SMN2CYP2C9LMNAALDH1A1CHRM2 | |
| Benzylic Acid SCHEMBL5705762 | 0.71 | CYP2C9 (0.71) | SMN1; SMN2CYP2C9LMNAALDH1A1CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6069149-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS | TERUMO KABUSHIKI KAISHA (JP) | 2000-05-30 | — | — | US | disclosed |
| EP-0894797-A1 | NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF | TERUMO KABUSHIKI KAISHA (JP) | 1999-02-03 | — | — | EP | disclosed |