Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | MME | P08473 | 2/20 | 0.36 |
| ▸ | CPA1 | P15085 | 2/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3154725 | 1.00 | ALDH1A1 (0.37) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL3154732 | 1.00 | ALDH1A1 (0.37) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL3156914 | 1.00 | ALDH1A1 (0.37) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL14889910 | 0.82 | ALDH1A1 (0.39) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL196730 | 0.82 | ALDH1A1 (0.39) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL196729 | 0.82 | ALDH1A1 (0.39) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL3149648 | 0.82 | ALDH1A1 (0.39) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL3527314 | 0.82 | ALDH1A1 (0.39) | ALDH1A1ACEMMECPA1ACE2 | |
| SCHEMBL21690137 | 0.81 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL17772985 | 0.80 | ALDH1A1 (0.38) | ALDH1A1ACEMMECPA1ACE2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0642530-B1 | DERIVATIVES OF DOLASTATIN | BASF AG (DE) | 1998-08-12 | — | — | EP | disclosed |
| EP-0642530-A1 | DERIVATIVES OF DOLASTATIN | BASF Aktiengesellschaft (DE) | 1995-03-15 | — | — | EP | disclosed |