Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | BRD2 | P25440 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2771704 | 0.88 | PLA2G2A (0.65) | PLA2G2ACYP2C9CYP2C19CA12CA1 | |
| SCHEMBL5561218 | 0.86 | PLA2G2A (0.75) | PLA2G2ATP53TSHRPLA2G4B | |
| SCHEMBL3176831 | 0.85 | CYP2C9 (0.58) | PLA2G2ACYP2C9CYP2C19CA12CA1 | |
| SCHEMBL6881775 | 0.84 | PLA2G2A (0.60) | PLA2G2ACYP2C9CYP2C19CA12CA1 | |
| SCHEMBL3937116 | 0.83 | L3MBTL1 (0.57) | PLA2G2ACYP2C9CYP2C19CA12CA1 | |
| SCHEMBL19409459 | 0.83 | PLA2G2A (0.64) | PLA2G2AL3MBTL1KMT2AHTTTP53 | |
| SCHEMBL2828409 | 0.83 | PLA2G2A (0.47) | PLA2G2ACA12CA1CA2CA7 | |
| SCHEMBL7234951 | 0.81 | CYP2C19 (0.70) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL3327442 | 0.81 | CYP2C19 (0.70) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL27969844 | 0.81 | TPMT (0.48) | CYP2C9CYP2C19TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021745-A2 | HEPATITIS C VIRUS ENTRY INHIBITORS | ITHERX PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |