Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9753064 | 0.80 | MMP2 (0.43) | ALDH1A1KDM4EGAARAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9753045 | 0.79 | MMP2 (0.42) | ALDH1A1KDM4EGAARAB9ASMN1; SMN2 | |
| SCHEMBL9736703 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAALOX5SMN1; SMN2 | |
| SCHEMBL9753181 | 0.77 | HTR2A (0.37) | ALDH1A1GAAHTTRAB9ASMN1; SMN2 | |
| SCHEMBL9733327 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAALOX5SMN1; SMN2 | |
| SCHEMBL9737324 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAALOX5SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9732991 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAALOX5SMN1; SMN2 | |
| SCHEMBL9737655 | 0.74 | KCNH2 (0.59) | ALDH1A1KDM4EGAAALOX5PDE10A | |
| SCHEMBL4774736 | 0.73 | GAA (0.50) | ALDH1A1GAACYP1A2HTTRAB9A | |
| SCHEMBL9738867 | 0.73 | ALDH1A1 (0.38) | ALDH1A1CYP1A2HTTMAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991009023-A1 | N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-06-27 | — | — | WO | claimed |