Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 7/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL687628 | 0.92 | KMT2A (0.42) | CTSATAS1R3TAS1R1PTGER3KDM4E | |
| SCHEMBL686620 | 0.89 | PTGER3 (0.50) | CTSAPTGER3KDM4EITGB1ITGA4 | |
| SCHEMBL688008 | 0.88 | CTSA (0.41) | CTSATAS1R3TAS1R1CYP26A1PPARG | |
| SCHEMBL687926 | 0.86 | PTGER3 (0.55) | TAS1R3TAS1R1PTGER3KDM4ECYP2C9 | |
| SCHEMBL687522 | 0.85 | CTSA (0.44) | CTSAPTGER3KDM4ECYP3A4CYP2C9 | |
| SCHEMBL687794 | 0.84 | MEN1 (0.45) | CTSAKDM4ECYP2C9CYP2C19MEN1 | |
| SCHEMBL686762 | 0.83 | PTGER3 (0.51) | CTSAPTGER3KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL688519 | 0.82 | PTGER3 (0.46) | PTGER3KDM4ECYP26A1ITGB1ITGA4 | |
| SCHEMBL687449 | 0.82 | CTSA (0.47) | CTSA | |
| SCHEMBL687381 | 0.82 | CTSA (0.47) | CTSAPTGER3KDM4EMEN1KMT2A |
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 3 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-1176956-B1 | CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS | ENCYSIVE PHARMACEUTICALS INC (US) | 2008-01-09 | — | — | 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 |