Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL1416240 | 0.90 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL23137462 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| Hydrochloric Acid SCHEMBL9898760 | 0.88 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| Formaldehyde SCHEMBL27932456 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL8065086 | 0.82 | TSHR (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL3126288 | 0.79 | TSHR (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL450176 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL1202582 | 0.79 | PKM (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL9556077 | 0.79 | PKM (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL9899863 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 |
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-5138088-A | Nitrobenzoyl-3-cyclopropylaminoacrylates and a process for the preparation thereof | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1992-08-11 | — | — | US | disclosed |