Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709166 | 0.85 | APP (0.38) | CYP3A4CYP2D6PMP22KDM4E | |
| SCHEMBL21709177 | 0.81 | ALOX15 (0.31) | — | |
| SCHEMBL21709174 | 0.81 | KDM4E (0.33) | ALDH1A1MAPTKDM4EPPARALTA4H | |
| SCHEMBL8584735 | 0.73 | ALDH1A1 (0.60) | CYP3A4MEN1KMT2AALDH1A1CYP2D6 | |
| SCHEMBL21709168 | 0.73 | KMT2A (0.62) | MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL1871415 | 0.66 | KDM4E (0.48) | MEN1KMT2AKDM4ELTA4H | |
| SCHEMBL7151829 | 0.65 | PLAAT3 (0.48) | ALDH1A1MAPTKDM4ELTA4H | |
| SCHEMBL11865792 | 0.65 | CA2 (0.53) | CYP3A4ALDH1A1CYP2D6CYP1A2BLM | |
| SCHEMBL23777499 | 0.65 | ACHE (0.48) | MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL5688279 | 0.65 | FFAR1 (0.56) | MEN1KMT2A |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |