Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7840110 | 0.86 | BCAT2 (0.40) | BCAT2NR4A1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7844137 | 0.86 | BCAT2 (0.44) | BCAT2AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL7641541 | 0.80 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL7641537 | 0.80 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL13776409 | 0.80 | AKR1C3 (0.57) | AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL8002389 | 0.78 | BCAT2 (0.50) | BCAT2CES2CES1AKR1C2AKR1C1 | |
| SCHEMBL6250243 | 0.78 | BCAT2 (0.50) | BCAT2CES2CES1AKR1C2AKR1C1 | |
| SCHEMBL7829901 | 0.73 | BCAT2 (0.40) | BCAT2AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL34748 | 0.69 | BCAT2 (0.62) | BCAT2LMNAKDM4EALDH1A1 | |
| SCHEMBL30455577 | 0.69 | BCAT2 (0.62) | BCAT2LMNAMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828724-B1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-12-05 | — | — | EP | claimed |