Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9851966 | 1.00 | ALDH1A1 (0.36) | ALDH1A1POLBPKMCTDSP1TDP1 | |
| SCHEMBL9851985 | 0.77 | CYP3A4 (0.33) | ALDH1A1 | |
| SCHEMBL9851987 | 0.77 | CYP3A4 (0.33) | ALDH1A1 | |
| SCHEMBL6204322 | 0.76 | FAAH (0.34) | — | |
| SCHEMBL6204324 | 0.76 | FAAH (0.34) | — | |
| SCHEMBL9851990 | 0.75 | DUT (0.33) | — | |
| SCHEMBL9851986 | 0.75 | DUT (0.33) | — | |
| SCHEMBL25224364 | 0.73 | ALDH1A1 (0.38) | ALDH1A1POLBPKMCTDSP1TDP1 | |
| SCHEMBL14822324 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL7404461 | 0.70 | CHRNB2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0438311-A2 | Di- and tripeptide renin inhibitors | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |