Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152971 | 0.70 | CA3 (0.39) | ALOX15TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL20152962 | 0.70 | TP53 (0.39) | ALOX15ALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL20152954 | 0.70 | HSD17B10 (0.39) | ALOX15TSHRALDH1A1HTR2AHTR2C | |
| SCHEMBL931388 | 0.69 | ALOX15 (0.48) | ALOX15TSHRALDH1A1POLBHTR2A | |
| SCHEMBL20153014 | 0.68 | MEN1 (0.38) | ALOX15TSHRALDH1A1HTR2AHTR2C | |
| SCHEMBL20153038 | 0.68 | HTR2A (0.36) | HTR2AHTR2CHTR2BLMNA | |
| SCHEMBL959572 | 0.66 | NUDT1 (0.51) | ALOX15TSHRALDH1A1POLBRAB9A | |
| SCHEMBL15600247 | 0.66 | NUDT1 (0.47) | ALOX15TSHRALDH1A1POLBHTR2A | |
| SCHEMBL20153027 | 0.66 | MEN1 (0.36) | ALDH1A1HPGD | |
| SCHEMBL20152922 | 0.65 | PDE1B (0.44) | TSHRALDH1A1HTR2BADRA1ACYP2C19 |
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 |