Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1792253 | 0.87 | — | — | |
| SCHEMBL18937729 | 0.85 | AKR1B1 (0.58) | PAOXAKR1B1TSHRALDH1A1PLA2G2A | |
| SCHEMBL674092 | 0.85 | TSHR (0.59) | AKR1B1TSHRALDH1A1PLA2G2AGPR84 | |
| SCHEMBL24767966 | 0.85 | FFAR3 (0.50) | PAOXAKR1B1TSHRALDH1A1FFAR3 | |
| SCHEMBL27146120 | 0.85 | FFAR3 (0.50) | PAOXAKR1B1TSHRALDH1A1FFAR3 | |
| SCHEMBL29509659 | 0.85 | FFAR3 (0.50) | PAOXAKR1B1TSHRALDH1A1FFAR3 | |
| Hydrochloric Acid SCHEMBL5595904 | 0.85 | FFAR3 (0.50) | PAOXAKR1B1TSHRALDH1A1FFAR3 | |
| SCHEMBL16147341 | 0.83 | TSHR (0.56) | AKR1B1TSHRALDH1A1PLA2G2AGPR84 | |
| SCHEMBL20138612 | 0.83 | GPR84 (0.60) | AKR1B1TSHRALDH1A1PLA2G2AGPR84 | |
| SCHEMBL8437709 | 0.83 | GPR84 (0.60) | AKR1B1TSHRALDH1A1PLA2G2AGPR84 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1079825-B1 | COMPOUNDS THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS | ENCYSIVE PHARMACEUTICALS INC (US) | 2010-07-21 | — | — | EP | disclosed |
| US-6262084-B1 | Compounds that inhibit the binding of integrins to their receptors | TEXAS BIOTECHNOLOGY CORPORATION | 2001-07-17 | — | — | US | disclosed |