Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | 0.78 | TSHR (0.35) | ALDH1A1CYP2C19POLBBLMATM | |
| SCHEMBL11494921 | 0.76 | CYP2C19 (0.30) | ALDH1A1CYP2C19 | |
| SCHEMBL163090 | 0.75 | — | — | |
| SCHEMBL12710486 | 0.74 | — | — | |
| SCHEMBL15120370 | 0.73 | DGAT1 (0.35) | ALDH1A1CYP2C19POLBBLMATM | |
| SCHEMBL7339999 | 0.70 | TSHR (0.33) | ALDH1A1CYP2C19POLBBLMATM | |
| SCHEMBL9301261 | 0.69 | KMT2A (0.44) | ALDH1A1CYP2C19POLBTDP1 | |
| SCHEMBL20885267 | 0.68 | CYP2C19 (0.34) | CYP2C19POLBBLMATM | |
| SCHEMBL13212714 | 0.68 | TSHR (0.44) | ALDH1A1CYP2C19POLBBLMATM | |
| SCHEMBL14713463 | 0.68 | CYP2C19 (0.34) | ALDH1A1CYP2C19POLBBLMATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4330548-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-05-18 | — | — | US | disclosed |
| US-4311697-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1982-01-19 | — | — | US | disclosed |
| US-4296113-A | FOR TREATING HYPERTENSION BY INHIBITING ANGIOTENSIN CONVERTING ENZYME | E. R. SQUIBB & SONS, INC. (US) | 1981-10-20 | — | — | US | disclosed |