Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA3 | P07451 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.53 |
| ▸ | CA6 | P23280 | 3/20 | 0.53 |
| ▸ | CA5A | P35218 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.53 |
| ▸ | DPP4 | P27487 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7615406 | 1.00 | KDM4E (0.53) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL2728401 | 0.96 | KDM4E (0.53) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL2728405 | 0.96 | KDM4E (0.53) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| Hydrochloric Acid SCHEMBL27910221 | 0.95 | KDM4E (0.51) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL13797243 | 0.93 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL20681307 | 0.93 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL30207038 | 0.93 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL30567327 | 0.93 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL30263749 | 0.93 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1CA12CA1 | |
| SCHEMBL6264682 | 0.87 | HSD17B10 (0.52) | KDM4EHSD17B10ALDH1A1CA12CA1 |
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-1100495-A4 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORP (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1100495-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006153-A1 | PROPENAMIDES AS CCR5 MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-10 | — | — | WO | disclosed |