Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724269 | 0.81 | GRM2 (0.43) | CYP4F2CYP4A11 | |
| SCHEMBL31434382 | 0.81 | GRM2 (0.42) | PLA2G10PLA2G2AKDM4E | |
| SCHEMBL31434291 | 0.79 | MEN1 (0.45) | PLA2G10KDM4E | |
| SCHEMBL9724221 | 0.79 | KDM4E (0.40) | CYP4F2CYP4A11HPGDCYP3A4CYP2C19 | |
| SCHEMBL9724211 | 0.79 | NT5E (0.39) | CYP4F2CYP4A11CYP3A4CYP2C19KDM4E | |
| SCHEMBL9724264 | 0.78 | CYP4F2 (0.41) | CYP4F2CYP4A11NPC1RAB9ACYP3A4 | |
| SCHEMBL1599148 | 0.75 | KDM4E (0.51) | CYP4F2CYP4A11CYP3A4CYP2C19KDM4E | |
| SCHEMBL9380126 | 0.72 | LMNA (0.62) | CYP4F2CYP4A11HPGDCYP3A4CYP2C19 | |
| SCHEMBL6604134 | 0.72 | NPC1 (0.54) | NPC1HPGDNFKB1STAT1RAB9A | |
| SCHEMBL9383680 | 0.72 | NPC1 (0.41) | CYP4F2CYP4A11NPC1HPGDRAB9A |
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-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |