Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29537333 | 0.87 | CYP3A4 (0.52) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL93270 | 0.87 | CYP3A4 (0.52) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| Methane SCHEMBL27995664 | 0.85 | CYP3A4 (0.50) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL9078903 | 0.85 | CYP3A4 (0.50) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL9078906 | 0.85 | CYP3A4 (0.50) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6999020 | 0.83 | CYP3A4 (0.48) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9795434 | 0.79 | CYP3A4 (0.50) | CYP3A4TDP1MAPK1NPC1ALDH1A1 | |
| SCHEMBL7529492 | 0.78 | CYP3A4 (0.48) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11869772 | 0.76 | HTR3E (0.55) | CYP3A4HTR3EHTR3BHTR3AHTR3D | |
| Carbamic Acid SCHEMBL11869786 | 0.75 | HTR3E (0.53) | CYP3A4HTR3EHTR3BHTR3AHTR3D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100513389-C | Improved process for the production of carbodiimide modifiedorganic isocyanates | BAYER MATERIALSCIENCE LLC (US) | 2009-07-15 | — | — | CN | disclosed |
| CN-1709863-A | Improved process for the production of carbodiimide modifiedorganic isocyanates | BAYER MATERIALSCIENCE LLC (US) | 2005-12-21 | — | — | CN | disclosed |
| US-5045226-A | Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |