Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8641015 | 0.89 | AKR1B1 (0.50) | AKR1B1TDP1KDM4ECYP1A2MAPT | |
| SCHEMBL157525 | 0.80 | APOBEC3G (0.38) | — | |
| SCHEMBL10882541 | 0.79 | GABRA1 (0.41) | MAPTGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6762396 | 0.77 | AKR1B1 (0.55) | AKR1B1TDP1KDM4ECYP1A2MAPT | |
| SCHEMBL1098938 | 0.76 | AKR1B1 (0.48) | AKR1B1TDP1KDM4ECYP1A2MAPT | |
| SCHEMBL5325114 | 0.76 | AKR1B1 (0.48) | AKR1B1TDP1KDM4ECYP1A2MAPT | |
| SCHEMBL1450954 | 0.73 | AKR1B1 (0.50) | AKR1B1TDP1KDM4EMAPTDUSP3 | |
| SCHEMBL21054410 | 0.73 | PTGS1 (0.45) | AKR1B1TDP1KDM4EBCAT2PTGS1 | |
| SCHEMBL1441908 | 0.72 | AKR1B1 (0.39) | AKR1B1TDP1KDM4ECYP1A2MAPT | |
| SCHEMBL28757846 | 0.72 | CXCL8 (0.41) | AKR1B1PTGS2CXCL8PTGS1ALB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001025206-A1 | METHOD FOR PREPARING HYDROXIMIC COMPOUNDS FOR USE AS FUNGICIDES | AVENTIS CROPSCIENCE SA (FR) | 2001-04-12 | — | — | WO | disclosed |