Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 7/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 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 | |
|---|---|---|---|---|
| SCHEMBL687486 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10CTSAPTGER3 | |
| SCHEMBL687280 | 0.91 | POLB (0.43) | CTSAPTGER3MEN1POLBKMT2A | |
| SCHEMBL688040 | 0.89 | PTGER3 (0.49) | ALDH1A1CTSAPTGER3MEN1POLB | |
| SCHEMBL687761 | 0.89 | CTSA (0.46) | ALDH1A1CTSAPTGER3MEN1KMT2A | |
| SCHEMBL688155 | 0.89 | PTGER3 (0.49) | ALDH1A1CTSAPTGER3MEN1POLB | |
| SCHEMBL688110 | 0.88 | MEN1 (0.49) | ALDH1A1TSHRCTSAMEN1POLB | |
| SCHEMBL688296 | 0.88 | CTSA (0.37) | ALDH1A1CTSAPTGER3MEN1POLB | |
| SCHEMBL687559 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CTSAPTGER3POLB | |
| SCHEMBL686888 | 0.87 | CTSA (0.37) | ALDH1A1TSHRCTSAPTGER3MEN1 | |
| SCHEMBL688854 | 0.87 | PPARG (0.39) | ALDH1A1CTSAPTGER3MEN1POLB |
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 |