Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 3/20 | 0.63 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6961823 | 1.00 | CXCR2 (0.63) | CXCR2CXCR1THRBALDH1A1KDM4E | |
| SCHEMBL5248185 | 0.87 | CXCR2 (0.63) | CXCR2CXCR1THRBALDH1A1HTT | |
| SCHEMBL5221370 | 0.82 | CXCR2 (0.51) | CXCR2CXCR1THRBALDH1A1HDAC1 | |
| SCHEMBL2883579 | 0.79 | HRH3 (0.56) | CXCR2CXCR1ALDH1A1KDM4EHRH3 | |
| Reparixin SCHEMBL1884299 | 0.77 | CXCR2 (1.00) | CXCR2CXCR1THRBSMN1; SMN2CYP2C9 | |
| Reparixin SCHEMBL1884300 | 0.77 | CXCR2 (1.00) | CXCR2CXCR1THRBSMN1; SMN2CYP2C9 | |
| SCHEMBL13802644 | 0.74 | CXCR2 (0.76) | CXCR2CXCR1THRBSMN1; SMN2CYP2C9 | |
| SCHEMBL13802357 | 0.74 | CXCR2 (0.76) | CXCR2CXCR1THRBSMN1; SMN2CYP2C9 | |
| SCHEMBL13802533 | 0.74 | CXCR2 (0.76) | CXCR2CXCR1THRBSMN1; SMN2CYP2C9 | |
| SCHEMBL6281779 | 0.73 | CXCR1 (0.58) | CXCR2CXCR1THRBSMN1; SMN2CYP2C9 |
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-1276732-A1 | AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ | Dompé S.P.A. (IT) | 2003-01-22 | — | — | EP | disclosed |
| WO-2001079189-A2 | 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' | Dompé S.p.A. (IT) | 2001-10-25 | — | — | WO | disclosed |