Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10955111 | 0.84 | ALDH1A1 (0.49) | CA2GAATHRBCYP3A4ALDH1A1 | |
| SCHEMBL9173769 | 0.83 | ALDH1A1 (0.52) | LMNARAB9AGAATDP1ALDH1A1 | |
| SCHEMBL11881595 | 0.82 | S1PR4 (0.44) | CA2S1PR4LMNARAB9AGAA | |
| SCHEMBL11320744 | 0.82 | S1PR4 (0.44) | CA2S1PR4LMNARAB9AGAA | |
| SCHEMBL8951869 | 0.82 | S1PR4 (0.44) | CA2S1PR4LMNARAB9AGAA | |
| SCHEMBL11675997 | 0.82 | S1PR4 (0.58) | CA2S1PR4LMNARAB9AGAA | |
| SCHEMBL5713455 | 0.81 | ALDH1A1 (0.61) | CA2GAATDP1CYP3A4ALDH1A1 | |
| SCHEMBL31219671 | 0.81 | GPR35 (0.49) | CA2GAATHRBCYP3A4ALDH1A1 | |
| SCHEMBL11320743 | 0.81 | S1PR4 (0.45) | CA2S1PR4LMNARAB9AGAA | |
| SCHEMBL9558916 | 0.80 | CA2 (0.61) | CA2RAB9AGAAALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4992589-A | Substituted phenyl hydroxyethyl sulfones, and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |
| EP-0171611-B1 | SUBSTITUTED PHENYLOXETHYL SULPHONES AND PROCESS FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-09-23 | — | — | EP | disclosed |
| EP-0171611-A1 | Substituted phenyloxethyl sulphones and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-02-19 | — | — | EP | disclosed |
| US-3931142-A | Heterocyclic containing disazo compounds | CIBA-GEIGY AG (CH) | 1976-01-06 | — | — | US | disclosed |