Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | ADH1B | P00325 | 1/20 | 0.46 |
| ▸ | ADH1C | P00326 | 1/20 | 0.46 |
| ▸ | ADH1A | P07327 | 1/20 | 0.46 |
| ▸ | ADH7 | P40394 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24765013 | 0.89 | RORC (0.48) | BCHEADH1BADH1CADH1AADH7 | |
| SCHEMBL8113477 | 0.84 | MAOB (0.47) | APPMAOBBCHEACHECYP1A2 | |
| SCHEMBL8079472 | 0.81 | MAOB (0.49) | APPMAOBBCHEACHECYP1A2 | |
| SCHEMBL2538898 | 0.80 | MEN1 (0.53) | APPMAOBBCHEACHEOPRM1 | |
| SCHEMBL15466880 | 0.80 | MAOB (0.50) | APPMAOBBCHEACHECYP1A2 | |
| SCHEMBL22749466 | 0.77 | MAOB (0.57) | MAOBBCHEACHECYP1A2CYP2D6 | |
| SCHEMBL93173 | 0.76 | ADH1B (0.52) | ACHEADH1BADH1CADH1AADH7 | |
| SCHEMBL7207674 | 0.76 | MAOA (0.58) | APPMAOBBCHEACHE | |
| SCHEMBL9326853 | 0.75 | APP (0.56) | APPMAOBBCHEACHEOPRM1 | |
| SCHEMBL7202285 | 0.75 | MAOA (0.61) | APPMAOBBCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393794-B1 | DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS | UNIV ILLINOIS (US) | 2017-03-22 | — | — | EP | disclosed |