Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9185237 | 0.90 | ALDH1A1 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL9108221 | 0.85 | ALDH1A1 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL10885494 | 0.84 | MAPT (0.59) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| Dibenzoylmethane SCHEMBL29013375 | 0.82 | KMT2A (0.63) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL9775226 | 0.79 | NPC1 (0.70) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL8038243 | 0.78 | CYP1A2 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL11801841 | 0.77 | TDP1 (0.67) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL9622180 | 0.77 | CYP2C19 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL1977011 | 0.77 | KMT2A (0.80) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL6912212 | 0.77 | ALDH1A1 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113698328-B | Substituted 1, 3-dicarbonyl compound and preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2023-05-05 | — | — | CN | disclosed |
| CN-113698328-A | Substituted 1, 3-dicarbonyl compound and preparation method and application thereof | 山东第一医科大学(山东省医学科学院) | 2021-11-26 | — | — | CN | disclosed |