Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152923 | 0.80 | MAOA (0.45) | ESR2MAOAMEN1KMT2AMAOB | |
| SCHEMBL20152948 | 0.75 | MAOA (0.38) | HTR1AHTR7MAOAMEN1KMT2A | |
| SCHEMBL20152912 | 0.70 | HTR1A (0.39) | ESR2HTR1AHTR7MAOAMAPT | |
| SCHEMBL321421 | 0.65 | HTR7 (0.51) | ESR2HTR1AHTR7MAOBPGR | |
| SCHEMBL10304978 | 0.65 | ABL1 (0.47) | ESR2PGRPDE3BPDE3A | |
| SCHEMBL24476040 | 0.63 | MGAM (0.45) | ESR2HTR1AHTR7MAOBPGR | |
| SCHEMBL24909936 | 0.63 | NPSR1 (0.44) | ESR2MAPTSMN1; SMN2TP53THRB | |
| SCHEMBL16428844 | 0.63 | ESR2 (0.55) | ESR2MAPTSMN1; SMN2TP53ALOX15 | |
| SCHEMBL14850868 | 0.62 | ACHE (0.54) | ESR2MAPTSMN1; SMN2TP53THRB | |
| SCHEMBL277298 | 0.62 | ACHE (0.54) | ESR2MAPTSMN1; SMN2TP53THRB |
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 |