Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152962 | 0.85 | TP53 (0.39) | MEN1KMT2AHTR2BHTR2CHTR2A | |
| SCHEMBL20152954 | 0.85 | HSD17B10 (0.39) | MEN1KMT2AHTR2BHTR2CHTR2A | |
| SCHEMBL20153038 | 0.83 | HTR2A (0.36) | HTR2BHTR2CHTR2AMAOAMAOB | |
| SCHEMBL20152922 | 0.82 | PDE1B (0.44) | KMT2AHTR2BTSHRALDH1A1 | |
| SCHEMBL20153027 | 0.81 | MEN1 (0.36) | MEN1KMT2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27619264 | 0.73 | MEN1 (0.39) | MEN1KMT2AHTR2BHTR2CHTR2A | |
| SCHEMBL20152971 | 0.71 | CA3 (0.39) | KMT2AHTR2BHTR2CHTR2ATSHR | |
| SCHEMBL27051000 | 0.70 | MAOA (0.39) | MAOAHSD17B10MAOBALDH1A1HPGD | |
| SCHEMBL10662488 | 0.68 | MAOA (0.37) | MEN1KMT2AMAOAMAOB | |
| SCHEMBL20152960 | 0.68 | ALOX15 (0.39) | HTR2BHTR2CHTR2ATSHRALOX15 |
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 |