Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 8/20 | 0.52 |
| ▸ | FAAH | O00519 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL829335 | 0.91 | ALOX5 (0.61) | ALOX5HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1667586 | 0.87 | ALOX5 (0.69) | ALOX5FAAHCES1HDAC3HDAC4 | |
| SCHEMBL1727025 | 0.82 | KMT2A (0.62) | ALOX5HDAC2HDAC8HDAC6MLYCD | |
| SCHEMBL30765759 | 0.81 | ALOX5 (0.57) | ALOX5SMN1; SMN2 | |
| SCHEMBL13792415 | 0.77 | ALOX5 (0.77) | ALOX5KMT2A | |
| SCHEMBL5321740 | 0.77 | ALOX5 (0.55) | ALOX5HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9835455 | 0.76 | ALOX5 (0.61) | ALOX5HDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL30882532 | 0.76 | CES1 (0.60) | ALOX5FAAHCES1HDAC3HDAC4 | |
| Trifluoroacetic Acid SCHEMBL30483155 | 0.76 | CES1 (0.60) | ALOX5FAAHCES1HDAC3HDAC4 | |
| SCHEMBL8358797 | 0.76 | CYP2D6 (0.58) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |