Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8452090 | 1.00 | S1PR1 (0.39) | S1PR1HTR2ASPHK1RARBRARA | |
| SCHEMBL8452087 | 1.00 | S1PR1 (0.39) | S1PR1HTR2ASPHK1RARBRARA | |
| SCHEMBL8450937 | 1.00 | S1PR1 (0.39) | S1PR1HTR2ASPHK1RARBRARA | |
| SCHEMBL8450997 | 0.99 | S1PR1 (0.40) | S1PR1HTR2ASPHK1RARBRARA | |
| SCHEMBL8450991 | 0.99 | S1PR1 (0.40) | S1PR1HTR2ASPHK1RARBRARA | |
| SCHEMBL8451562 | 0.95 | S1PR1 (0.36) | S1PR1HTR2AHTR2C | |
| SCHEMBL8451558 | 0.95 | S1PR1 (0.36) | S1PR1HTR2AHTR2C | |
| SCHEMBL8447258 | 0.94 | SPHK1 (0.47) | S1PR1HTR2ASPHK1SPHK2 | |
| SCHEMBL8452561 | 0.94 | SPHK1 (0.47) | S1PR1HTR2ASPHK1SPHK2 | |
| SCHEMBL8447256 | 0.94 | SPHK1 (0.47) | S1PR1HTR2ASPHK1SPHK2 |
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-5858275-A | Chlorobenzene derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0785179-A1 | CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORPORATION (JP) | 1997-07-23 | — | — | EP | disclosed |