Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | APLNR | P35414 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL580581 | 1.00 | ALDH1A1 (0.72) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| SCHEMBL247292 | 1.00 | — | — | |
| SCHEMBL19444447 | 1.00 | ALDH1A1 (0.72) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| SCHEMBL174369 | 1.00 | ALDH1A1 (0.72) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| SCHEMBL21378 | 1.00 | ALDH1A1 (0.72) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| Hydrochloric Acid SCHEMBL27774077 | 0.97 | — | — | |
| Cyclohexane SCHEMBL28340312 | 0.94 | ALDH1A1 (0.83) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| SCHEMBL23743466 | 0.91 | ALDH1A1 (0.62) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| SCHEMBL19818199 | 0.91 | ALDH1A1 (0.79) | ALDH1A1APLNREPHX1HIF1ACYP3A4 | |
| SCHEMBL17208967 | 0.91 | ALDH1A1 (0.79) | ALDH1A1APLNREPHX1HIF1ACYP3A4 |
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-0253172-B1 | PREPOLYMER HAVING TERMINAL NCO-GROUPS, PREPARATION THEREOF AND USE FOR THE PREPARATION OF POLYURETHANES | BAYER AG (DE) | 1992-10-14 | — | — | EP | disclosed |
| EP-0253172-A1 | Prepolymer having terminal NCO-groups, preparation thereof and use for the preparation of polyurethanes | BAYER AG (DE) | 1988-01-20 | — | — | EP | disclosed |