Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CTSA | P10619 | 4/20 | 0.42 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL687761 | 0.89 | CTSA (0.46) | TP53CTSAP2RY14KDM4EMEN1 | |
| SCHEMBL687280 | 0.89 | POLB (0.43) | CTSAP2RY14MEN1KMT2APOLB | |
| SCHEMBL687809 | 0.88 | ITGB1 (0.39) | TP53CTSANTRK1ALDH1A1 | |
| SCHEMBL688155 | 0.87 | PTGER3 (0.49) | CTSAKDM4EMEN1KMT2APOLB | |
| SCHEMBL688040 | 0.87 | PTGER3 (0.49) | CTSAKDM4EMEN1KMT2APOLB | |
| SCHEMBL688191 | 0.87 | ALDH1A1 (0.40) | CTSAKDM4EMEN1KMT2APOLB | |
| SCHEMBL687952 | 0.86 | PTGER3 (0.51) | TP53CTSAKDM4EMEN1KMT2A | |
| SCHEMBL688110 | 0.86 | MEN1 (0.49) | TP53CTSAKDM4EMEN1KMT2A | |
| SCHEMBL688296 | 0.85 | CTSA (0.37) | CTSAKDM4EMEN1KMT2APOLB | |
| SCHEMBL687559 | 0.85 | ALDH1A1 (0.49) | CTSAPOLBPTGER3ALDH1A1 |
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 |