Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.39 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8694113 | 0.95 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8695230 | 0.76 | DGAT1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19DGAT1 | |
| SCHEMBL8695232 | 0.76 | ELANE (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19DGAT1 | |
| SCHEMBL10313766 | 0.73 | MAPT (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL3827727 | 0.72 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10003672 | 0.72 | MAPT (0.44) | ALDH1A1SMN1; SMN2HPGDKDM4EGLA | |
| SCHEMBL2912564 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10292838 | 0.71 | MAPT (0.46) | ALDH1A1SMN1; SMN2HPGDKDM4EPOLB | |
| SCHEMBL7220721 | 0.71 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL12407109 | 0.70 | CYP1A2 (0.73) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 |
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-1998018768-A1 | HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS | FMC CORPORATION (US) | 1998-05-07 | — | — | WO | disclosed |