Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10594910 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9HIF1AMAPK1 | |
| SCHEMBL1371544 | 0.81 | — | — | |
| SCHEMBL11020925 | 0.80 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL1401735 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL27820255 | 0.79 | — | — | |
| SCHEMBL27431132 | 0.78 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C9HIF1A | |
| SCHEMBL1686176 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9HIF1AMAPK1 | |
| SCHEMBL48411 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9HIF1AMAPK1 | |
| SCHEMBL12470392 | 0.77 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9HIF1AMAPK1 | |
| SCHEMBL964999 | 0.73 | AAK1 (0.32) | CYP1A2CYP3A4CYP2C9HIF1AMAPK1 |
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-4469856-A | Non-crystalline polyamine/carbonic acid salt compositions, a process for their preparation and their use for the production of polyurethane ureas, especially foamed coatings | BAYER AKTIENGESELLSCHAFT (DE) | 1984-09-04 | — | — | US | disclosed |