Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8841212 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMAPTPKM | |
| SCHEMBL10646596 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EMAPTPKM | |
| SCHEMBL2785581 | 0.73 | NPC1 (0.58) | ALDH1A1HPGDKDM4EMAPTTSHR | |
| SCHEMBL8549838 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTPKM | |
| SCHEMBL10647060 | 0.71 | RAB9A (0.48) | ALDH1A1HPGDKDM4EMAPTPKM | |
| SCHEMBL28069506 | 0.71 | CA12 (0.61) | ALDH1A1HPGDKDM4EMAPTPKM | |
| SCHEMBL17786550 | 0.71 | CSNK2A2 (0.55) | ALDH1A1HPGDKDM4EMAPTPKM | |
| SCHEMBL26602375 | 0.70 | HIF1A (0.64) | KDM4E | |
| SCHEMBL7253688 | 0.70 | ESR1 (0.42) | ALDH1A1HPGDMAPTTSHRMAPK1 | |
| SCHEMBL28428780 | 0.70 | MAPT (0.47) | ALDH1A1HPGDKDM4EMAPTALOX15 |
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-107619384-A | Benzheterocyclic derivatives, its preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2018-01-23 | — | — | CN | disclosed |