Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL12519622 | 0.83 | CYP3A4 (0.50) | CYP3A4TP53MAOBTSHRAPP | |
| SCHEMBL17339969 | 0.81 | L3MBTL1 (0.48) | MAPT | |
| SCHEMBL13606643 | 0.80 | TDP1 (0.42) | CYP3A4MAOBTSHRAPPLTA4H | |
| SCHEMBL3227805 | 0.80 | MEN1 (0.41) | LTA4HALDH1A1 | |
| SCHEMBL13185240 | 0.79 | ALDH1A1 (0.52) | TSHRALDH1A1POLB | |
| SCHEMBL13498042 | 0.78 | KDM4E (0.46) | TSHRALDH1A1 | |
| SCHEMBL13165331 | 0.78 | SOD1 (0.43) | CYP3A4ALDH1A1POLBMAPT | |
| SCHEMBL19291625 | 0.72 | CYP3A4 (0.49) | CYP3A4TP53MAOBTSHRAPP | |
| SCHEMBL15075279 | 0.70 | USP2 (0.41) | TSHRALDH1A1MAPT | |
| SCHEMBL30451644 | 0.69 | CYP3A4 (0.69) | CYP3A4TP53MAOBTSHRAPP |
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-2009158571-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS AND USES THEREOF (US) | 2009-12-30 | — | — | WO | disclosed |