Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5280456 | 1.00 | ALDH1A1 (0.49) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL8803514 | 0.85 | GLA (0.49) | ALDH1A1KDM4EAPPMAPTGLA | |
| SCHEMBL69618 | 0.79 | TTR (0.66) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL3065424 | 0.75 | CA12 (0.66) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL30676338 | 0.75 | CA12 (0.66) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL2631340 | 0.75 | CA12 (0.66) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL2169771 | 0.74 | NR1H4 (0.44) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL3413478 | 0.74 | NR1H4 (0.46) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL2614742 | 0.73 | TTR (0.58) | ALDH1A1KDM4ETTRAPPPTPN1 | |
| SCHEMBL4084338 | 0.73 | TTR (0.58) | ALDH1A1KDM4ETTRAPPPTPN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1313560-B1 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | UNIV YALE (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1313560-A4 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | UNIV YALE (US) | 2005-02-09 | — | — | EP | disclosed |
| EP-1313560-A1 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | YALE UNIVERSITY (US) | 2003-05-28 | — | — | EP | disclosed |
| US-6562989-B2 | Bicyclopentyl iron ligand and transition metal catalyst | YALE UNIVERSITY | 2003-05-13 | — | — | US | disclosed |
| US-20030008768-A1 | Catalyst for aromatic C-O, C-N, and C-C bond formation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-01-09 | — | — | US | disclosed |
| WO-2002011883-A1 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | YALE UNIVERSITY (US) | 2002-02-14 | — | — | WO | disclosed |