Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL27520649 | 0.86 | PROKR1 (0.44) | CYP1A2CYP2D6ACACBALDH1A1KMT2A | |
| SCHEMBL31729821 | 0.83 | TP53 (0.55) | TSHRTP53PLA2G4B | |
| SCHEMBL17412498 | 0.80 | PLA2G2A (0.55) | TSHRTP53ALDH1A1HPGDPLA2G4B | |
| SCHEMBL17412504 | 0.79 | LMNA (0.47) | LMNANPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17412497 | 0.77 | KDM4E (0.54) | LMNANPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL201525 | 0.77 | LMNA (0.48) | LMNANPC1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25049489 | 0.75 | KDM4C (0.57) | ACACBTSHRTP53ALDH1A1KMT2A | |
| SCHEMBL10992160 | 0.73 | ABCG2 (0.58) | SMN1; SMN2TSHRTP53MEN1ALDH1A1 | |
| SCHEMBL28588448 | 0.73 | TSHR (0.48) | LMNACYP3A4TSHRTP53FFAR4 | |
| SCHEMBL9600534 | 0.73 | JMJD6 (0.58) | LMNANPC1CYP1A2CYP2C19CYP3A4 |
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-1201789-A | Pyridine-3,4-diketone derivatives and their preparation and medicinal uses | UNIV ZHONGSHAN (CN) | 1998-12-16 | — | — | CN | claimed |