Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152909 | 0.87 | CYP3A4 (0.36) | TYRTP53CYP3A4ALOX15TSHR | |
| SCHEMBL60292 | 0.81 | TYR (0.63) | TYRALOX5MEN1TP53CYP3A4 | |
| SCHEMBL20152998 | 0.80 | SLC13A5 (0.40) | MEN1MAPTALOX15HTTKMT2A | |
| SCHEMBL20152897 | 0.80 | ESR1 (0.33) | TYRCYP3A4TSHRALDH1A1ESR1 | |
| SCHEMBL20153023 | 0.80 | HSD17B10 (0.34) | CYP3A4MAPTALOX15TSHRALDH1A1 | |
| SCHEMBL7710586 | 0.78 | TYR (0.56) | TYRALOX5MEN1TP53CYP3A4 | |
| SCHEMBL9339634 | 0.78 | TYR (0.74) | TYRALOX5MEN1TP53CYP3A4 | |
| SCHEMBL28332231 | 0.76 | ALOX5 (0.62) | TYRALOX5MEN1TP53CYP3A4 | |
| SCHEMBL20153026 | 0.76 | CYP3A4 (0.38) | TYRALOX5MEN1TP53CYP3A4 | |
| SCHEMBL20152874 | 0.75 | ESR2 (0.48) | ALOX5MEN1MAPTKMT2AALDH1A1 |
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 |