Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3693673 | 0.94 | CYP2D6 (0.42) | TNIKSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL13604765 | 0.81 | FASN (0.41) | TNIKCYP2D6METAP2EPHX1EPHX2 | |
| SCHEMBL3706227 | 0.80 | METAP2 (0.38) | TNIKSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3695400 | 0.78 | TNIK (0.41) | TNIKSLC6A2SLC6A4SLC6A3CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL3698142 | 0.78 | FASN (0.38) | TNIKSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3696684 | 0.73 | SLC6A2 (0.46) | TNIKSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL856313 | 0.67 | AHR (0.70) | TNIKCYP17A1CYP11B1CYP11B2MAP3K11 | |
| SCHEMBL13604808 | 0.66 | FASN (0.41) | TNIKSLC6A2SLC6A4SLC6A3FASN | |
| SCHEMBL3692025 | 0.65 | KDM4E (0.41) | TNIKFASNNPC1RIPK1 | |
| SCHEMBL3701259 | 0.65 | FASN (0.42) | FASN |
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-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |