Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5087696 | 0.87 | SMN1; SMN2 (0.61) | ALDH1A1SMN1; SMN2GAAATMCYP2C9 | |
| SCHEMBL6831129 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2GAAATMKDM4E | |
| SCHEMBL1327237 | 0.75 | KMT2A (0.56) | ALDH1A1KDM4EHPGDPARP1KMT2A | |
| SCHEMBL5717691 | 0.74 | CRHBP (0.68) | ALDH1A1SMN1; SMN2GAAATMKDM4E | |
| SCHEMBL2295833 | 0.73 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2GAAATMKDM4E | |
| SCHEMBL6630665 | 0.73 | SIRT1 (0.77) | ALDH1A1SMN1; SMN2KDM4ECYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7110024 | 0.72 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2GAAATMKDM4E | |
| SCHEMBL7108755 | 0.72 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2GAAATMKDM4E | |
| SCHEMBL7577192 | 0.72 | ALDH1A1 (0.97) | ALDH1A1SMN1; SMN2GAAATMKDM4E | |
| SCHEMBL14040985 | 0.72 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2GAAATMKDM4E |
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-105085482-B | Substituted diethylenediamine compound and its application method and purposes | 广东东阳光药业有限公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-105085482-A | Substituted piperazine compound, and usage method and application thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |