Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | GRK5 | P34947 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | MDH2 | P40926 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7359277 | 0.92 | PPARD (0.40) | CA1CA2CA9MDH2ITGB3 | |
| Trifluoroacetic Acid SCHEMBL7332742 | 0.92 | PPARD (0.40) | CA1CA2CA9MDH2ITGB3 | |
| SCHEMBL7359281 | 0.90 | ITGB3 (0.40) | S1PR1HDAC1HDAC8ITGB3ITGA2B | |
| SCHEMBL8842942 | 0.89 | ATM (0.39) | ATMCA1CA2CA9S1PR1 | |
| Trifluoroacetic Acid SCHEMBL7334531 | 0.89 | HRH2 (0.39) | PTGER3FFAR4FFAR1HDAC1ITGB3 | |
| Trifluoroacetic Acid SCHEMBL7326588 | 0.89 | HRH2 (0.39) | PTGER3FFAR4FFAR1HDAC1ITGB3 | |
| Trifluoroacetic Acid SCHEMBL7328662 | 0.88 | CTRB1 (0.40) | HDAC1HDAC8ITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7330331 | 0.88 | CTRB1 (0.40) | HDAC1HDAC8ITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7362872 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7364005 | 0.88 | ITGB3 (0.44) | HDAC1HDAC8ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-5663166-A | ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING | GENENTECH, INC. (US) | 1997-09-02 | — | — | US | disclosed |