Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22689592 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL8750994 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL92977 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL16687820 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL314330 | 0.77 | — | — | |
| SCHEMBL5247142 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL543862 | 0.77 | ALDH1A1 (0.69) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL377540 | 0.77 | ALDH1A1 (0.57) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL22657946 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4MGLLTSHR | |
| SCHEMBL23466921 | 0.75 | ALDH1A1 (0.47) | ALDH1A1TP53CYP3A4MGLLTSHR |
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-4211850-A | Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups | BAYER AKTIENGESELLSCHAFT (DE) | 1980-07-08 | — | — | US | disclosed |
| US-4201852-A | Polyurethanes based on modified polyisocyanates containing sulphonic acid ester groups and process for the production thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1980-05-06 | — | — | US | disclosed |
| US-4189562-A | Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups | BAYER AKTIENGESELLSCHAFT (DE) | 1980-02-19 | — | — | US | disclosed |