Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | LDHB | P07195 | 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 | |
|---|---|---|---|---|
| SCHEMBL166574 | 0.88 | ALDH1A1 (0.39) | ALDH1A1CYP1A2ALOX15CASP7HIF1A | |
| SCHEMBL165542 | 0.85 | DHFR (0.40) | DHFR | |
| SCHEMBL166081 | 0.84 | DHFR (0.35) | DHFRALDH1A1 | |
| SCHEMBL10053903 | 0.81 | THRB (0.32) | DHFRALDH1A1 | |
| SCHEMBL169186 | 0.80 | P2RX3 (0.34) | DHFR | |
| SCHEMBL29893261 | 0.79 | DHFR (0.37) | DHFRALDH1A1CYP1A2ALOX15CASP7 | |
| SCHEMBL15488 | 0.79 | DHFR (0.37) | DHFRALDH1A1CYP1A2ALOX15CASP7 | |
| SCHEMBL3870609 | 0.78 | DHFR (0.36) | DHFRALDH1A1CYP1A2ALOX15CASP7 | |
| SCHEMBL2941908 | 0.74 | ALDH1A1 (0.39) | DHFRALDH1A1CYP1A2ALOX15CASP7 | |
| SCHEMBL10341214 | 0.74 | ALDH1A1 (0.36) | ALDH1A1CYP1A2ALOX15CASP7HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2638088-A1 | HALOGENATION OF 4,4'-METHYLENE-BIS-ANILINES | Lonza Ltd (CH) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012028323-A1 | HALOGENATION OF 4,4'-METHYLENE-BIS-ANILINES | LONZA LTD (CH) | 2012-03-08 | — | — | WO | disclosed |