Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29671165 | 0.86 | HSPA5 (0.50) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL2240415 | 0.86 | HSPA5 (0.50) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL1174451 | 0.85 | CA2 (0.50) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL430925 | 0.80 | CA2 (0.45) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL10597480 | 0.80 | CA2 (0.45) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL10790211 | 0.79 | ALDH1A1 (0.49) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL11856967 | 0.79 | TYR (0.57) | HIF1AALDH1A1TYRTP53LMNA | |
| SCHEMBL20592335 | 0.79 | CA2 (0.37) | CA2GABRA1GABRB2HSPA5CYP2C9 | |
| SCHEMBL3673064 | 0.79 | NPSR1 (0.44) | CA2GABRA1GABRB2ALDH1A1POLB | |
| SCHEMBL6404761 | 0.78 | HSPA5 (0.44) | CA2GABRA1GABRB2HSPA5CYP2C9 |
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-2021211982-A2 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2021-10-21 | — | — | WO | disclosed |