Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.48 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 4/20 | 0.42 |
| ▸ | CCND1 | P24385 | 4/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441626 | 1.00 | GABBR2 (0.48) | GABBR2GABBR1ALDH1A1TRPA1ALOX5 | |
| SCHEMBL18255047 | 0.85 | GABBR2 (0.42) | GABBR2GABBR1ALDH1A1TRPA1ALOX5 | |
| SCHEMBL29350410 | 0.84 | ALDH1A1 (0.40) | GABBR2GABBR1ALDH1A1ALOX5TSHR | |
| SCHEMBL19968585 | 0.84 | ALDH1A1 (0.40) | GABBR2GABBR1ALDH1A1ALOX5TSHR | |
| SCHEMBL8011123 | 0.82 | GABBR2 (0.51) | GABBR2GABBR1ALDH1A1TRPA1ALOX5 | |
| SCHEMBL8011119 | 0.82 | GABBR2 (0.51) | GABBR2GABBR1ALDH1A1TRPA1ALOX5 | |
| SCHEMBL25870288 | 0.80 | GABBR2 (0.42) | GABBR2GABBR1ALDH1A1TRPA1ALOX5 | |
| SCHEMBL38660766 | 0.78 | GABBR2 (0.47) | GABBR2GABBR1ALDH1A1TRPA1ALOX5 | |
| SCHEMBL3692947 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALOX5TSHRTPMTPTGS1 | |
| SCHEMBL3692946 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALOX5TSHRTPMTPTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1606251-A2 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | ChemoCentryx Inc (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004058705-A2 | INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR | CHEMOCENTRYX (US) | 2004-07-15 | — | — | WO | disclosed |
| US-3992472-A | Synthesis of ethylenically unsaturated compounds from aldehydes or ketones | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-11-16 | — | — | US | disclosed |