Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 3/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6380512 | 0.82 | S1PR1 (0.38) | S1PR4S1PR1S1PR3S1PR5 | |
| Benzene SCHEMBL27735295 | 0.80 | CYP3A4 (0.56) | CETPTSHR | |
| Phenol SCHEMBL11876241 | 0.80 | CETP (0.50) | CETPTSHR | |
| SCHEMBL342475 | 0.79 | CYP3A4 (0.47) | CETP | |
| Benzylamine SCHEMBL10336198 | 0.79 | CETP (0.50) | CETPTSHR | |
| Chloromethane SCHEMBL11360800 | 0.79 | CYP3A4 (0.58) | TSHR | |
| SCHEMBL30310287 | 0.78 | CETP (0.54) | CETPTSHR | |
| O-Xylene SCHEMBL29240024 | 0.78 | CYP3A4 (0.45) | — | |
| SCHEMBL28659100 | 0.77 | LPAR3 (0.46) | ALDH1A1CETPTSHR | |
| SCHEMBL28673535 | 0.77 | LPAR3 (0.46) | ALDH1A1CETPTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5569727-A | REACTING A DIEPOXIDE WITH A DIISOCYANATE IN PRESENCE OF POLYMERIZATION CATALYST WHICH IS A COMPLEX OF LEWIS ACID AND LEWIS BASE AND BAKING | EUROPEAISCHE WIRTSCHAFTSGEMEINSCHAFT (LU) | 1996-10-29 | — | — | US | disclosed |
| US-5206287-A | Polyurethane | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-27 | — | — | US | disclosed |
| US-4988549-A | CURABLE POLYISOCYANATE, POLYEPOXIDE REACTION MIXTURE ON POLYAMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4788224-A | POLYISOCYANURATES, POLYOXAZOLIDINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-29 | — | — | US | disclosed |