Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426792 | 0.76 | TSHR (0.35) | TSHRALDH1A1CYP2C19POLBBLM | |
| SCHEMBL13212714 | 0.76 | TSHR (0.44) | TSHRALDH1A1CYP2C19POLBBLM | |
| SCHEMBL13333192 | 0.74 | CYP2C19 (0.38) | TSHRCYP2C19CYP2D6HIF1A | |
| SCHEMBL12710486 | 0.72 | — | — | |
| SCHEMBL14280360 | 0.71 | ACLY (0.31) | TSHRALDH1A1CYP2C19POLBBLM | |
| SCHEMBL11214932 | 0.70 | ALDH1A1 (0.33) | ALDH1A1CYP2C19POLBBLMATM | |
| SCHEMBL11484590 | 0.70 | CPB2 (0.33) | CYP2C19CPB2 | |
| SCHEMBL3226980 | 0.67 | — | — | |
| SCHEMBL604354 | 0.67 | — | — | |
| SCHEMBL1268156 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4316906-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-02-23 | — | — | US | disclosed |