Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10799437 | 0.85 | SKP2 (0.49) | TDP1CYP3A4ALDH1A1CYP1A2ALOX15 | |
| SCHEMBL19853548 | 0.84 | TDP1 (0.44) | TDP1CYP3A4ALDH1A1CASP1PARP1 | |
| SCHEMBL10885240 | 0.82 | CYP3A4 (0.46) | TDP1CYP3A4ALDH1A1CASP1ALOX15 | |
| SCHEMBL6867025 | 0.82 | ALDH1A1 (0.54) | TDP1CYP3A4ALDH1A1CASP1PARP1 | |
| SCHEMBL10799481 | 0.79 | CYP3A4 (0.45) | TDP1CYP3A4ALDH1A1CYP1A2ALOX15 | |
| SCHEMBL11658684 | 0.79 | POLB (0.44) | TDP1CYP3A4ALDH1A1CYP1A2GAA | |
| SCHEMBL9182465 | 0.79 | GAA (0.42) | CYP3A4ALDH1A1CASP1CYP1A2ALOX15 | |
| SCHEMBL6206260 | 0.78 | CYP3A4 (0.52) | TDP1CYP3A4ALDH1A1CASP1CYP1A2 | |
| SCHEMBL10941078 | 0.78 | DHFR (0.43) | CYP3A4ALDH1A1ALOX15HSD17B10GAA | |
| SCHEMBL3513675 | 0.77 | SKP2 (0.52) | TDP1CYP3A4ALDH1A1CYP1A2ALOX15 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4879409-A | CYCLOHEXYLMETHANE DIISOCYANATES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-11-07 | — | — | US | disclosed |
| US-4786751-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-22 | — | — | US | disclosed |
| US-4720582-A | Diamines and a process for their production | BAYER AKTIENGESELLSCHAFT (DE) | 1988-01-19 | — | — | US | disclosed |
| US-4618706-A | AROMATIC DIISOCYANATES AND DIAMINES; STABLE LIQUID PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1986-10-21 | — | — | US | disclosed |
| EP-0113044-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES, PROCESS FOR THEIR PRODUCTION, AS WELL AS THEIR USE IN THE PRODUCTION OF POLYURETHANES | BAYER AG (DE) | 1986-09-03 | — | — | EP | 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-0104396-B1 | PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES | BAYER AG (DE) | 1985-11-13 | — | — | EP | disclosed |
| EP-0062823-B1 | PROCESS FOR THE PREPARATION OF AROMATIC POLYISOCYANATES CONTAINING UREA GROUPS AND/OR BIURET GROUPS AND THEIR USE AS AN ISOCYANATE COMPONENT IN THE PRODUCTION OF POLYURETHANES | BAYER AG (DE) | 1985-01-30 | — | — | EP | disclosed |
| EP-0113044-A2 | Diisocyanates or mixtures of diisocyanates, process for their production, as well as their use in the production of polyurethanes | BAYER AG (DE) | 1984-07-11 | — | — | EP | disclosed |
| EP-0104396-A1 | Process for preparation of diamines or mixtures of diamines | BAYER AG (DE) | 1984-04-04 | — | — | 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-0062823-A1 | Process for the preparation of aromatic polyisocyanates containing urea groups and/or biuret groups and their use as an isocyanate component in the production of polyurethanes | BAYER AG (DE) | 1982-10-20 | — | — | EP | disclosed |