Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | PTGER3 | P43115 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL687859 | 0.95 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL687557 | 0.91 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL27568063 | 0.90 | ALDH1A1 (0.70) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL688117 | 0.90 | ALDH1A1 (0.70) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL688280 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL686750 | 0.88 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL687605 | 0.87 | PTGER3 (0.59) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM | |
| SCHEMBL687891 | 0.86 | PTGER3 (0.69) | ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER3 | |
| SCHEMBL687422 | 0.85 | PTGER3 (0.54) | ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER3 | |
| SCHEMBL687877 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPK1SMN1; SMN2PKM |
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 |