Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25062167 | 0.76 | KMT2A (0.46) | KMT2AALDH1A1HPGDCCNB2CDK1 | |
| SCHEMBL25062987 | 0.76 | KMT2A (0.46) | KMT2AALDH1A1HPGDCCNB2CDK1 | |
| SCHEMBL266136 | 0.75 | PLK1 (0.55) | KMT2AALDH1A1HPGDKDM4ENPC1 | |
| SCHEMBL7688700 | 0.75 | ALDH1A1 (0.45) | KMT2AALDH1A1HPGDCCNB2CDK1 | |
| SCHEMBL7329614 | 0.75 | KMT2A (0.44) | KMT2AALDH1A1HPGDCCNB2CDK1 | |
| SCHEMBL8989151 | 0.75 | KMT2A (0.44) | KMT2AALDH1A1HPGDCCNB2CDK1 | |
| SCHEMBL2214810 | 0.75 | NOTUM (0.50) | KMT2AALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL3260887 | 0.72 | BRD4 (0.47) | KMT2AALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL28850533 | 0.72 | NQO2 (0.44) | KMT2AALDH1A1HPGDCCNB2CDK1 | |
| SCHEMBL11690452 | 0.72 | KMT2A (0.55) | KMT2AALDH1A1HPGDCCNB2CDK1 |
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-113429396-A | Five-membered heteroaromatic ring derivative and preparation method and application thereof | 深圳市祥根生物医药有限公司 | 2021-09-24 | — | — | CN | disclosed |