Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962970 | 0.96 | HTR2C (0.50) | HTR2CESR2IDO1CYP2C9ESR1 | |
| SCHEMBL8962978 | 0.96 | HTR2C (0.50) | HTR2CESR2IDO1CYP2C9ESR1 | |
| SCHEMBL8962960 | 0.93 | HTR2C (0.53) | HTR2CCNR1MAOB | |
| SCHEMBL8963017 | 0.89 | HTR2C (0.57) | HTR2CCNR1MAOB | |
| SCHEMBL8963025 | 0.89 | HTR2C (0.57) | HTR2CCNR1MAOB | |
| SCHEMBL8962904 | 0.85 | HTR2C (0.53) | HTR2CCHRM2CHRM5MAOBDGAT1 | |
| SCHEMBL8962900 | 0.85 | HTR2C (0.53) | HTR2CCHRM2CHRM5MAOBDGAT1 | |
| SCHEMBL8968584 | 0.82 | CYP2C9 (0.49) | ESR2CYP2C9ESR1CYP3A4MAOB | |
| SCHEMBL8963241 | 0.82 | ESR2 (0.41) | ESR2CYP2C9ESR1CYP3A4ALDH1A1 | |
| SCHEMBL9300385 | 0.82 | ESR2 (0.41) | ESR2CYP2C9ESR1CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |