Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152917 | 0.87 | ESR2 (0.46) | ESR2ESR1BACE1HSD17B1 | |
| SCHEMBL20152874 | 0.84 | ESR2 (0.48) | ESR2ESR1BACE1MEN1KMT2A | |
| SCHEMBL20153024 | 0.80 | ESR2 (0.40) | ESR2ESR1BACE1 | |
| SCHEMBL20153001 | 0.80 | BACE1 (0.41) | CA12CA9MAOAMAOBBACE1 | |
| SCHEMBL20152909 | 0.79 | CYP3A4 (0.36) | ESR1MAOBACHE | |
| SCHEMBL8229996 | 0.78 | JAK1 (0.47) | ESR2ESR1CA12CA9MIF | |
| SCHEMBL10622591 | 0.75 | GUSB (0.38) | ESR2ESR1CA12CA9MIF | |
| SCHEMBL20153022 | 0.75 | HSD17B1 (0.43) | ESR2ESR1CA12CA9MIF | |
| SCHEMBL20153028 | 0.74 | TYR (0.33) | MAOBMEN1KMT2A | |
| SCHEMBL20152974 | 0.74 | TYR (0.33) | MAOBBACE1MEN1KMT2A |
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 |