Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.39 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
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 | 0.79 | ALDH1A1 (0.49) | CA2ALDH1A1POLBCYP3A4PDE2A | |
| SCHEMBL9877593 | 0.79 | CA2 (0.51) | CA2ALDH1A1LMNAHTTPOLB | |
| SCHEMBL10359664 | 0.77 | CA2 (0.44) | CA2ALDH1A1MAPTLMNACYP3A4 | |
| SCHEMBL9173769 | 0.77 | ALDH1A1 (0.52) | ALDH1A1MAPTLMNAHTTPOLB | |
| SCHEMBL832001 | 0.77 | ALDH1A1 (0.71) | CA2ALDH1A1MAPTHTTTXNRD1 | |
| SCHEMBL9877839 | 0.77 | CA2 (0.73) | CA2ALDH1A1MAPTHTTAPEX1 | |
| SCHEMBL5713455 | 0.76 | ALDH1A1 (0.61) | CA2ALDH1A1MAPTHTTTXNRD1 | |
| SCHEMBL31219671 | 0.76 | GPR35 (0.49) | CA2ALDH1A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3712418 | 0.76 | CA2 (0.56) | CA2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL499483 | 0.76 | GAA (0.56) | CA2ALDH1A1MAPTHTTTXNRD1 |
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 6 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-0245603-B1 | AROMATIC AMINOSULFONE COMPOUNDS AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1990-11-07 | — | — | EP | disclosed |
| EP-0197418-B1 | REACTIVE AZO DYES | BAYER AG (DE) | 1989-03-01 | — | — | EP | disclosed |
| EP-0245603-A2 | Aromatic aminosulfone compounds and process for their preparation | BAYER AG (DE) | 1987-11-19 | — | — | EP | disclosed |
| EP-0197418-A2 | Reactive azo dyes | BAYER AG (DE) | 1986-10-15 | — | — | EP | disclosed |
| US-4577015-A | Triphendioxazine vinyl sulphone dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1986-03-18 | — | — | US | disclosed |