Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | FASN | P49327 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3693673 | 0.82 | CYP2D6 (0.42) | METAP2CYP2D6EPHX1EPHX2TNIK | |
| SCHEMBL13604797 | 0.80 | TNIK (0.40) | METAP2CYP2D6EPHX1EPHX2TNIK | |
| SCHEMBL13604765 | 0.77 | FASN (0.41) | METAP2CYP2D6EPHX1EPHX2TNIK | |
| Trifluoroacetic Acid SCHEMBL3698142 | 0.75 | FASN (0.38) | METAP2CYP2D6EPHX1EPHX2TNIK | |
| SCHEMBL3696684 | 0.68 | SLC6A2 (0.46) | TNIKSLC6A2SLC6A4SLC6A3FASN | |
| SCHEMBL3695400 | 0.66 | TNIK (0.41) | CYP2D6TNIKSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3692025 | 0.66 | KDM4E (0.41) | TNIKFASNRIPK1NPC1RAB9A | |
| SCHEMBL13604808 | 0.66 | FASN (0.41) | TNIKSLC6A2SLC6A4SLC6A3FASN | |
| SCHEMBL3701259 | 0.65 | FASN (0.42) | FASN | |
| SCHEMBL3695341 | 0.63 | NPC1 (0.42) | TNIKPTGS2FASNNPC1RAB9A |
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 |