Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNC1 | P63316 | 1/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747219 | 0.96 | TNNC1 (0.48) | TNNC1SPHK1SPHK2ESR1ADRA2A | |
| SCHEMBL8745150 | 0.95 | TNNC1 (0.45) | TNNC1SPHK1SPHK2ESR1ADRA2A | |
| SCHEMBL8745277 | 0.94 | TNNC1 (0.44) | TNNC1SPHK1SPHK2ESR1ADRA2A | |
| SCHEMBL8745253 | 0.91 | MAOA (0.40) | TNNC1HTR2CHTR2AHRH3CYP2C9 | |
| SCHEMBL8745162 | 0.91 | TNNC1 (0.48) | TNNC1SPHK1SPHK2ESR1ADRA2A | |
| SCHEMBL8745203 | 0.90 | TNNC1 (0.45) | TNNC1SPHK1SPHK2CYP3A4HRH3 | |
| SCHEMBL8745621 | 0.90 | TNNC1 (0.47) | TNNC1SPHK1SPHK2ESR1ADRA2A | |
| SCHEMBL8745257 | 0.87 | TNNC1 (0.35) | TNNC1KDM4EALDH1A1LMNAPTGS1 | |
| SCHEMBL8745290 | 0.86 | MAOB (0.43) | TNNC1KDM4EALDH1A1LMNAHTR2C | |
| SCHEMBL19267807 | 0.86 | TNNC1 (0.38) | TNNC1SPHK1SPHK2S1PR1S1PR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0563981-B1 | Cis-1,4-substituted 2-butene derivative | CHISSO CORP (JP) | 1997-01-22 | — | — | EP | disclosed |
| US-5401434-A | Cis-1,4-substituted 2-butene derivative | CHISSO CORPORATION (JP) | 1995-03-28 | — | — | US | disclosed |
| EP-0563981-A2 | Cis-1,4-substituted 2-butene derivative | Chisso Corporation (JP) | 1993-10-06 | — | — | EP | disclosed |