Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MIF | P14174 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | STK17B | O94768 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7742186 | 0.99 | MAOA (0.43) | MAOACES1BCHEALDH1A1MIF | |
| SCHEMBL7784188 | 0.88 | TRPM4 (0.44) | CES1BCHEALDH1A1MEN1MAPT | |
| SCHEMBL11505033 | 0.82 | MAOA (0.44) | MAOACES1BCHEALDH1A1CYP1A2 | |
| SCHEMBL10777205 | 0.81 | ALOX5 (0.49) | MAOACES1BCHEALDH1A1MIF | |
| SCHEMBL8383288 | 0.81 | ALOX5 (0.43) | CES1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL12774644 | 0.80 | ALDH1A1 (0.57) | MAOACES1BCHEALDH1A1MIF | |
| SCHEMBL11146304 | 0.79 | MAPT (0.54) | MAOACES1BCHEALDH1A1MIF | |
| SCHEMBL11789929 | 0.78 | MEN1 (0.57) | MAOACES1BCHEALDH1A1MIF | |
| SCHEMBL11038763 | 0.76 | KMT2A (0.40) | MAOACES1BCHEALDH1A1MEN1 | |
| SCHEMBL260885 | 0.76 | MAOA (0.55) | MAOACES1BCHEALDH1A1MIF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4394227-A | Electrochemical process for the preparation of benzanthrones and planar, polycyclic aromatic oxygen-containing compounds | CIBA-GEIGY AG (CH) | 1983-07-19 | — | — | US | disclosed |
| US-4311565-A | REDUCTION, CYCLIZATION | CIBA-GEIGY AG (CH) | 1982-01-19 | — | — | US | disclosed |