Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCH | P24723 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28211333 | 1.00 | FKBP1A (0.41) | FKBP1ACYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL28210750 | 0.81 | FKBP1A (0.49) | FKBP1AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL17303557 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2D6NFKB1PRKD3PRKCG | |
| SCHEMBL28211330 | 0.78 | FKBP1A (0.57) | FKBP1ACYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL28211332 | 0.78 | FKBP1A (0.57) | FKBP1ACYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL5627950 | 0.73 | POLB (0.51) | FKBP1AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL4055067 | 0.71 | CYP3A4 (0.38) | CYP3A4CYP2D6NFKB1PRKD3PRKCG | |
| SCHEMBL17346 | 0.71 | L3MBTL1 (0.51) | CYP3A4CYP2D6NFKB1PRKD3PRKCG | |
| Hydrochloric Acid SCHEMBL16427 | 0.70 | L3MBTL1 (0.50) | CYP3A4CYP2D6NFKB1PRKD3PRKCG | |
| Hydrochloric Acid SCHEMBL16426 | 0.70 | L3MBTL1 (0.50) | CYP3A4CYP2D6NFKB1PRKD3PRKCG |
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-107980040-A | 1,3,4- oxadiazoles sulfamide derivative as 6 inhibitor of histone deacetylase enzyme and the medical composition containing it | 株式会社钟根堂 | 2018-05-01 | — | — | CN | disclosed |