Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | GSK3B | P49841 | 3/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.70 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Phenacyl Chloride SCHEMBL8429323 | 0.88 | ALDH1A1 (0.63) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL55444 | 0.84 | ALDH1A1 (1.00) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL2314766 | 0.84 | ALDH1A1 (1.00) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Propiophenone SCHEMBL12505517 | 0.83 | MAPT (0.58) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Propiophenone SCHEMBL12505516 | 0.83 | MAPT (0.58) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL27980271 | 0.82 | GSK3B (0.79) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL4787265 | 0.82 | ALDH1A1 (0.86) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL5139857 | 0.82 | ALDH1A1 (0.95) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL14715802 | 0.82 | ALDH1A1 (0.95) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 | |
| Phenacyl Chloride SCHEMBL28256528 | 0.82 | ALDH1A1 (0.95) | ALDH1A1GSK3BMAPK1HIF1ATRPA1 |
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-1781267-A4 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX INC (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1781267-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | Combinatorx, Incorporated (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2005115455-A2 | METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS | COMBINATORX, INCORPORATED (US) | 2005-12-08 | — | — | WO | disclosed |