Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20153023 | 0.93 | HSD17B10 (0.34) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL20152938 | 0.91 | SLC13A5 (0.37) | HSD17B10MAPTALDH1A1ALOX15 | |
| SCHEMBL20152909 | 0.81 | CYP3A4 (0.36) | HSD17B10ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL20152974 | 0.80 | TYR (0.33) | HSD17B10MAPTALDH1A1TP53CYP1A2 | |
| SCHEMBL20153028 | 0.80 | TYR (0.33) | HSD17B10MAPTALDH1A1TP53CYP1A2 | |
| SCHEMBL20153032 | 0.80 | TYR (0.37) | HSD17B10MAPTALDH1A1TP53CYP1A2 | |
| SCHEMBL20152910 | 0.80 | MAOB (0.43) | HSD17B10MAPTALDH1A1ALOX15 | |
| SCHEMBL20152917 | 0.75 | ESR2 (0.46) | ESR1 | |
| SCHEMBL19025083 | 0.74 | HSD17B10 (0.48) | HSD17B10CA12CA1CA2CA7 | |
| SCHEMBL20152939 | 0.74 | ESR2 (0.37) | CA12CA9NPC1CASP3RAB9A |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |