Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 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 | |
|---|---|---|---|---|
| SCHEMBL21340768 | 1.00 | GABRA1 (0.37) | GABRA1GABRB2POLBRAB9ACYP1A2 | |
| SCHEMBL10010786 | 0.80 | GABRA1 (0.40) | GABRA1GABRB2POLBCYP1A2CYP2D6 | |
| SCHEMBL846677 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2POLBCYP1A2CYP2D6 | |
| SCHEMBL190968 | 0.76 | GABRA1 (0.52) | GABRA1GABRB2POLBCYP1A2CYP2D6 | |
| SCHEMBL27934028 | 0.76 | GABRA1 (0.37) | GABRA1GABRB2POLBCYP1A2CYP2D6 | |
| SCHEMBL5010138 | 0.76 | NPSR1 (0.35) | POLBCYP1A2CYP2D6HIF1AKIF11 | |
| SCHEMBL28241863 | 0.74 | GABRA1 (0.50) | GABRA1GABRB2POLBCYP1A2CYP2D6 | |
| SCHEMBL23011524 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL21340767 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL4151318 | 0.72 | HIF1A (0.42) | GABRA1GABRB2POLBCYP1A2CYP2D6 |
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-2019173243-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) | 2019-09-12 | — | — | WO | disclosed |