Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6318341 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| SCHEMBL22543 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| SCHEMBL5902920 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| SCHEMBL7192102 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| SCHEMBL10507329 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| SCHEMBL23743495 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| SCHEMBL5903114 | 1.00 | ALDH1A1 (0.54) | ALDH1A1APLNRCYP3A4KMT2A | |
| Methane SCHEMBL10803844 | 0.98 | ALDH1A1 (0.52) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL4556661 | 0.93 | ALDH1A1 (0.48) | ALDH1A1APLNRCYP3A4 | |
| SCHEMBL1179083 | 0.93 | ALDH1A1 (0.48) | ALDH1A1APLNRCYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0606832-B1 | Radiopaque polyurethanes | BAYER AG (US) | 1998-04-08 | — | — | EP | claimed |
| US-4879408-A | Cycloaliphatic diisocyanates optionally in the form of isomer mixtures and a process for their production | BAYER AKTIENGESELLSCHAFT (DE) | 1989-11-07 | — | — | US | disclosed |
| EP-0104531-B1 | CYCLOALIPHATIC DIISOCYANATES, POSSIBLY IN THE FORM OF A MIXTURE OF ISOMERS, METHOD FOR THEIR PREPARATION AND THEIR USE AS STARTING PRODUCTS IN THE PREPARATION OF SYNTHETIC PRODUCTS OF THE POLYURETHANE TYPE | BAYER AG (DE) | 1985-11-21 | — | — | EP | disclosed |
| EP-0104551-B1 | CYCLOALIPHATIC DIISOCYANATES, POSSIBLY IN THE FORM OF A MIXTURE OF ISOMERS, METHOD FOR THEIR PREPARATION AND THEIR USE AS STARTING PRODUCTS IN THE PREPARATION OF SYNTHETIC PRODUCTS OF THE POLYURETHANE TYPE | BAYER AG (DE) | 1985-11-13 | — | — | EP | disclosed |
| EP-0104531-A1 | Cycloaliphatic diisocyanates, possibly in the form of a mixture of isomers, method for their preparation and their use as starting products in the preparation of synthetic products of the polyurethane type | BAYER AG (DE) | 1984-04-04 | — | — | EP | disclosed |
| EP-0104551-A1 | Cycloaliphatic diisocyanates, possibly in the form of a mixture of isomers, method for their preparation and their use as starting products in the preparation of synthetic products of the polyurethane type | BAYER AG (DE) | 1984-04-04 | — | — | EP | disclosed |