Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29743080 | 1.00 | DHFR (0.38) | DHFRCYP1A2CYP2A6GPR84CES1 | |
| SCHEMBL2424517 | 0.90 | DHFR (0.37) | DHFRCYP1A2CYP2A6GPR84CES1 | |
| SCHEMBL30616090 | 0.90 | DHFR (0.37) | DHFRCYP1A2CYP2A6GPR84CES1 | |
| SCHEMBL3629384 | 0.90 | DHFR (0.37) | DHFRCYP1A2CYP2A6GPR84CES1 | |
| SCHEMBL341832 | 0.87 | GPR84 (0.40) | DHFRGPR84CES1GSK3BADK | |
| SCHEMBL29350512 | 0.87 | GPR84 (0.40) | DHFRGPR84CES1GSK3BADK | |
| SCHEMBL30894421 | 0.86 | DHFR (0.34) | DHFRCYP1A2CYP2A6GPR84CES1 | |
| SCHEMBL30894423 | 0.85 | ALDH1A1 (0.35) | DHFRCYP1A2CYP2A6GPR84CES1 | |
| Hydrochloric Acid SCHEMBL3221967 | 0.84 | GPR84 (0.38) | DHFRGPR84CES1GSK3BADK | |
| SCHEMBL30894425 | 0.84 | GPR84 (0.34) | DHFRGPR84CES1GSK3BADK |
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 |
|---|---|---|---|---|---|---|---|
| US-20060165580-A1 | Heterogeneous copper catalysts | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-07-27 | — | — | US | disclosed |