Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4919985 | 0.86 | SMN1; SMN2 (0.55) | SMN1; SMN2KDM4ERAB9AGAAALDH1A1 | |
| SCHEMBL10667681 | 0.78 | CYP3A4 (0.45) | SMN1; SMN2RAB9ATSHRNPC1KMT2A | |
| SCHEMBL14018508 | 0.74 | RAB9A (0.77) | SMN1; SMN2KDM4ERAB9AGAAALDH1A1 | |
| SCHEMBL10360761 | 0.73 | ALDH1A1 (0.57) | SMN1; SMN2KDM4ERAB9AGAAALDH1A1 | |
| SCHEMBL28040345 | 0.72 | HTT (0.46) | SMN1; SMN2KDM4EALDH1A1TSHRHPGD | |
| SCHEMBL4493748 | 0.70 | ALDH1A1 (0.58) | SMN1; SMN2KDM4ERAB9AALDH1A1HPGD | |
| SCHEMBL11392854 | 0.68 | ALDH1A1 (0.50) | SMN1; SMN2KDM4ERAB9AGAAALDH1A1 | |
| SCHEMBL179966 | 0.68 | ALDH1A1 (0.63) | SMN1; SMN2KDM4ERAB9AGAAALDH1A1 | |
| SCHEMBL9748472 | 0.67 | ALDH1A1 (0.54) | SMN1; SMN2KDM4ERAB9AGAAALDH1A1 | |
| SCHEMBL11588944 | 0.67 | MAPT (0.43) | KDM4ERAB9AGAAALDH1A1POLB |
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 |