Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | UGT2B17 | O75795 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL20153038 | 0.85 | HTR2A (0.36) | HTR2BHTR2AHTR2CLMNAMAOA | |
| SCHEMBL20153014 | 0.85 | MEN1 (0.38) | HTR2BHTR2AHTR2CALOX15HSD17B10 | |
| SCHEMBL20153027 | 0.83 | MEN1 (0.36) | TDP1ALDH1A1MEN1GAAMAPT | |
| SCHEMBL27619264 | 0.75 | MEN1 (0.39) | HTR2BHTR2AHTR2CMEN1MAPT | |
| SCHEMBL27051000 | 0.72 | MAOA (0.39) | DRD2HSD17B10ALDH1A1LMNAGAA | |
| SCHEMBL10662488 | 0.70 | MAOA (0.37) | DRD2DRD1MEN1GAAKMT2A | |
| SCHEMBL20152971 | 0.70 | CA3 (0.39) | HTR2BHTR2AHTR2CDRD2ALOX15 | |
| SCHEMBL20152960 | 0.70 | ALOX15 (0.39) | HTR2BHTR2AHTR2CRAB9AALOX15 | |
| SCHEMBL20152954 | 0.70 | HSD17B10 (0.39) | TDP1HTR2BHTR2AHTR2CALOX15 | |
| Hydrochloric Acid SCHEMBL10666195 | 0.69 | MAOA (0.36) | DRD2DRD1MEN1GAAKMT2A |
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 |