Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL27887700 | 0.98 | LOXL2 (0.47) | LOXL2CYP2C9CYP2C19CYP2D6CYP1A2 | |
| Phenylacetic Acid SCHEMBL27442533 | 0.83 | AKR1B1 (0.59) | TSHRALDH1A1PTGS1LMNA | |
| Allylbenzene SCHEMBL28273138 | 0.83 | ALDH1A1 (0.46) | CYP2C9CYP2C19CYP2D6CYP1A2TSHR | |
| Benzylamine SCHEMBL27315232 | 0.82 | LOXL2 (0.56) | LOXL2CYP2C9CYP2C19CYP2D6CYP1A2 | |
| SCHEMBL11051392 | 0.81 | ALDH1A1 (0.53) | ALDH1A1PTGS2MAOBLMNA | |
| Dl-Phenylalanine SCHEMBL28052862 | 0.81 | SLC7A5 (0.67) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Aniline SCHEMBL29210070 | 0.80 | TSHR (0.42) | TSHRALDH1A1KDM4EPTGS2MAOB | |
| Phenyl Propionic Acid SCHEMBL27752253 | 0.80 | KEAP1 (0.61) | ALDH1A1SMN1; SMN2KDM4E | |
| Allylbenzene SCHEMBL28861610 | 0.80 | ALDH1A1 (0.43) | CYP2C9CYP2C19CYP2D6CYP1A2TSHR | |
| Benzylamine SCHEMBL1256239 | 0.79 | LOXL2 (0.70) | LOXL2CYP2C9CYP2C19CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106074417-A | The pharmaceutical carrier of slow-release | 钟术光 | 2016-11-09 | — | — | CN | disclosed |