Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | POLQ | O75417 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760632 | 0.86 | KMT2A (0.58) | KMT2ACYP3A4MEN1CYP2C9CYP2C19 | |
| SCHEMBL1199754 | 0.82 | KMT2A (0.64) | KMT2ACYP3A4MEN1SMN1; SMN2HPGD | |
| SCHEMBL307215 | 0.82 | KMT2A (0.54) | KMT2ACYP3A4MEN1CYP2C9CYP2C19 | |
| SCHEMBL6659655 | 0.81 | KMT2A (0.53) | KMT2ACYP3A4MEN1CYP2C9CYP2C19 | |
| SCHEMBL1345113 | 0.81 | KMT2A (0.61) | KMT2ACYP3A4MEN1SMN1; SMN2HPGD | |
| SCHEMBL6321564 | 0.80 | KMT2A (0.65) | KMT2ACYP3A4SMN1; SMN2HPGDKDM4E | |
| SCHEMBL11819020 | 0.79 | KMT2A (0.55) | KMT2ACYP3A4MEN1CYP2C9CYP2C19 | |
| SCHEMBL4593319 | 0.79 | KMT2A (0.51) | KMT2ACYP3A4MEN1CYP2C9CYP2C19 | |
| SCHEMBL27579037 | 0.79 | KMT2A (0.53) | KMT2ACYP3A4MEN1SMN1; SMN2HPGD | |
| SCHEMBL9675188 | 0.78 | POLQ (0.50) | KMT2ACYP3A4MEN1SMN1; SMN2CYP2C9 |
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-109232316-B | Synthetic method of alpha-tertiary nitrile structure beta-dicarbonyl compound | 昆明学院 | 2021-03-26 | — | — | CN | disclosed |