Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.38 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29487594 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL18459198 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL2153752 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL17993280 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL5383334 | 0.74 | HPRT1 (0.54) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL690094 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL31157796 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL30404096 | 0.73 | HPRT1 (0.71) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL1148967 | 0.73 | HPRT1 (0.71) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL1429141 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018123207-A1 | NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR | 国立大学法人大阪大学 | 2018-07-05 | — | — | WO | disclosed |