Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 3/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL688193 | 0.95 | CTSA (0.39) | SMN1; SMN2CYP3A4GNRHRNPSR1RXFP1 | |
| SCHEMBL688875 | 0.95 | SMN1; SMN2 (0.37) | SMN1; SMN2CYP3A4GNRHRMAPK1NPSR1 | |
| SCHEMBL688543 | 0.94 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP3A4GNRHRMAPK1NPSR1 | |
| SCHEMBL687921 | 0.93 | KMT2A (0.36) | SMN1; SMN2CYP3A4GNRHRCYP2C9CYP2C19 | |
| SCHEMBL687048 | 0.89 | CTSA (0.41) | SMN1; SMN2CYP3A4GNRHRNPSR1RXFP1 | |
| SCHEMBL686800 | 0.88 | PPARG (0.41) | SMN1; SMN2CYP3A4GNRHRNPSR1RXFP1 | |
| SCHEMBL686719 | 0.87 | MEN1 (0.38) | SMN1; SMN2CYP3A4GNRHRMAPK1NPSR1 | |
| SCHEMBL27741949 | 0.87 | PPARG (0.38) | SMN1; SMN2 | |
| SCHEMBL686965 | 0.86 | PPARG (0.40) | SMN1; SMN2CYP3A4GNRHRKMT2A | |
| SCHEMBL687480 | 0.84 | CTSA (0.36) | SMN1; SMN2ALDH1A1CTSAMEN1KMT2A |
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-1203766-B1 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC (US) | 2012-02-29 | — | — | EP | disclosed |
| EP-1203766-A2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | TEXAS BIOTECHNOLOGY CORPORATION (US) | 2002-05-08 | — | — | EP | disclosed |