Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1252882 | 0.86 | TDP1 (0.38) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Deanol SCHEMBL4392143 | 0.86 | TDP1 (0.59) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Tert-Butylamine SCHEMBL11873692 | 0.85 | MAPK1 (0.39) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Tromethamine SCHEMBL9547767 | 0.83 | MEN1 (0.56) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Deanol SCHEMBL10335343 | 0.82 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2C9HIF1A | |
| Deanol SCHEMBL4240097 | 0.82 | — | — | |
| Deanol SCHEMBL10335345 | 0.80 | CYP1A2 (0.35) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| SCHEMBL9387 | 0.78 | — | — | |
| Deanol SCHEMBL609 | 0.78 | — | — | |
| SCHEMBL362926 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7786062-B2 | Purge solution | BASF COATINGS GMBH (DE) | 2010-08-31 | — | — | US | disclosed |
| US-7575642-B2 | Purge solution | BASF CORPORATION (US) | 2009-08-18 | — | — | US | disclosed |
| US-20080210266-A1 | Purge solution | BASF CORPORATION (US) | 2008-09-04 | — | — | US | disclosed |
| US-20050183631-A1 | comprising polypropylene glycol, polyethylene glycol ester, dimethylethanol amine, butanol for cleaning spray paint equipment | BASF CORPORATION (US) | 2005-08-25 | — | — | US | disclosed |