Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13604756 | 0.85 | CTNNB1 (0.44) | CTNNB1WNT3AFASNNPC1MAPT | |
| SCHEMBL3698160 | 0.78 | HTR2A (0.41) | FASN | |
| SCHEMBL3695341 | 0.77 | NPC1 (0.42) | MAOACTNNB1WNT3AFASNKDR | |
| SCHEMBL6730746 | 0.73 | HDAC2 (0.37) | MAOAFASNKDRNPC1MAPT | |
| Hydrochloric Acid SCHEMBL3693678 | 0.69 | ROCK2 (0.38) | HTR1DHTR1BROCK2ROCK1KDM4E | |
| SCHEMBL3695400 | 0.68 | TNIK (0.41) | FASNKDRNPC1ENPP2GUSB | |
| SCHEMBL3695933 | 0.68 | CACNA2D1 (0.38) | ENPP2 | |
| SCHEMBL3701778 | 0.67 | EGFR (0.43) | FASNKDRNPC1PTGS2GUSB | |
| SCHEMBL13604749 | 0.67 | CACNA2D1 (0.47) | CTNNB1WNT3AFASNNPC1MAPT | |
| SCHEMBL3701776 | 0.65 | HTT (0.45) | CTNNB1WNT3AFASNKDRPTGS2 |
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-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | claimed |