Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | BCL2 | P10415 | 1/20 | 0.30 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2906319 | 0.94 | CYP3A4 (0.40) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL28586403 | 0.90 | CYP3A4 (0.46) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL11211323 | 0.87 | CYP3A4 (0.43) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL510928 | 0.83 | CYP3A4 (0.44) | CYP3A4TSHRGABRA1GABRB2CYP1A2 | |
| SCHEMBL28037071 | 0.83 | CYP3A4 (0.47) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL387552 | 0.83 | CYP3A4 (0.57) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL29854874 | 0.83 | CYP3A4 (0.57) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL1396327 | 0.82 | CYP3A4 (0.56) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL17912718 | 0.82 | CYP3A4 (0.63) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL27122 | 0.82 | CYP3A4 (0.63) | CYP3A4TSHRTRPA1GABRA1GABRB2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024665-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYL-METHANE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS A SYNTHESIS COMPONENT TO PRODUCE POLYURETHANE PLASTICS ACCORDING TO THE ISOCYANATE-POLYADDITION PROCESS | BAYER AG (DE) | 1982-05-05 | — | — | EP | claimed |
| EP-0024665-A1 | Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process | BAYER AG (DE) | 1981-03-11 | — | — | EP | claimed |
| EP-1082296-A1 | STABILISATION OF ORGANIC POLYISOCYANATES | Bayer Aktiengesellschaft (DE) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999048863-A1 | STABILISATION OF ORGANIC POLYISOCYANATES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-09-30 | — | — | WO | disclosed |
| EP-0445608-B1 | Stabilisation of organic polyisocyanates | BAYER AG (DE) | 1994-06-08 | — | — | EP | disclosed |
| US-5175349-A | Stabilization with hydroxyphenylpropionic acid | BAYER AKTIENGESELLSCHAFT (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0445608-A2 | Stabilisation of organic polyisocyanates | BAYER AG (DE) | 1991-09-11 | — | — | EP | disclosed |
| US-4761498-A | Diisocyanates and diisocyanate mixtures based on diphenylmethane, processes for their production and their use as isocyanate component in the production of polyurethane plastics by the isocyanate polyaddition process | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-02 | — | — | US | disclosed |
| EP-0046556-A1 | Diisocyanates or mixtures of diisocyanates of the diphenylmethane class, processes for their preparation, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process | BAYER AG (DE) | 1982-03-03 | — | — | EP | disclosed |
| EP-0024665-A1 | Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process | BAYER AG (DE) | 1981-03-11 | — | — | EP | disclosed |