Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | PON1 | P27169 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13999136 | 0.74 | ESR1 (0.40) | ESR1ESR2TRPA1TP53TDP1 | |
| SCHEMBL20152923 | 0.74 | MAOA (0.45) | BACE1MEN1KMT2AESR1ESR2 | |
| SCHEMBL20152953 | 0.67 | PDE7A (0.38) | TDP1 | |
| SCHEMBL16312967 | 0.67 | HDAC3 (0.34) | ALOX15ALOX12TP53 | |
| SCHEMBL20152968 | 0.67 | CYP1A2 (0.33) | ALOX15CA9KMT2A | |
| SCHEMBL14770071 | 0.67 | ALOX15 (0.32) | ALOX15 | |
| SCHEMBL20152961 | 0.67 | — | — | |
| SCHEMBL20153037 | 0.67 | ESR1 (0.34) | ALOX15KMT2AESR1ESR2MAOA | |
| SCHEMBL2870997 | 0.66 | ALOX15 (0.47) | COMTBACE1MCL1ALOX15ALOX12 | |
| SCHEMBL10068940 | 0.65 | TRPA1 (0.56) | COMTBACE1MCL1ALOX15ALOX12 |
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 |