Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | ALOX15B | O15296 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28236890 | 0.88 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8723591 | 0.87 | CYP3A4 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL4314558 | 0.85 | PDE4A (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22290195 | 0.83 | KCNH2 (0.40) | SMN1; SMN2GAAALDH1A1KCNH2PDE4A | |
| SCHEMBL9441388 | 0.82 | PDE4A (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11715622 | 0.81 | SMN1; SMN2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27562946 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10771894 | 0.78 | SMN1; SMN2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20892384 | 0.78 | CYP3A4 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9441518 | 0.78 | CYP3A4 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114574846-B | Passivation sealing agent and passivation sealing treatment process | 重庆工业职业技术学院 | 2023-09-15 | — | — | CN | disclosed |
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |