Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | RXRB | P28702 | 2/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL27151502 | 0.83 | AKR1C3 (0.35) | HTR1AHTR7AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL20152923 | 0.77 | MAOA (0.45) | MAOAMAOBRXRARXRBRXRG | |
| SCHEMBL27151501 | 0.76 | AKR1C3 (0.41) | HTR1AHTR7AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL27151503 | 0.75 | AKR1C3 (0.33) | HTR1AHTR7AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL20152911 | 0.75 | ESR2 (0.38) | MAOAMAOBHTR1AHTR7MEN1 | |
| SCHEMBL22229681 | 0.67 | MEN1 (0.61) | MAOAMAOBHTR1AHTR7AKR1C3 | |
| SCHEMBL21565066 | 0.66 | AKR1C3 (0.37) | HTR1AHTR7AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL29558520 | 0.65 | AKR1C3 (0.39) | HTR1AHTR7AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL13044416 | 0.64 | RAPGEF4 (0.37) | AKR1C3AKR1C2RXRARXRBP2RX1 | |
| SCHEMBL9861932 | 0.63 | CA1 (0.52) | RXRARXRBP2RX1RXRGCES2 |
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 |