Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL29411064 | 0.82 | CYP3A4 (0.50) | DDB1CRBNCYP3A4CASP1RECQL | |
| SCHEMBL273350 | 0.82 | CYP3A4 (0.50) | DDB1CRBNCYP3A4CASP1RECQL | |
| Hydrochloric Acid SCHEMBL25305777 | 0.81 | CYP3A4 (0.48) | DDB1CRBNCYP3A4CASP1RECQL | |
| SCHEMBL23380076 | 0.79 | ESR2 (0.35) | ESR2HTR2CAKR1C3AKR1C1 | |
| SCHEMBL26476778 | 0.79 | KDM1A (0.49) | ESR2HTR2CALDH1A1MEN1KMT2A | |
| SCHEMBL20275825 | 0.78 | DDB1 (0.40) | DDB1CRBNCYP3A4CASP1RECQL | |
| SCHEMBL16830211 | 0.77 | AKR1C3 (0.52) | ESR2AKR1C3AKR1C1LMNA | |
| SCHEMBL16830208 | 0.77 | AKR1C3 (0.52) | ESR2AKR1C3AKR1C1LMNA | |
| SCHEMBL190852 | 0.77 | AKR1C3 (0.52) | ESR2AKR1C3AKR1C1LMNA | |
| SCHEMBL16830129 | 0.77 | AKR1C3 (0.52) | ESR2AKR1C3AKR1C1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316813-B1 | Process for the preparation of amines | SYNGENTA PARTICIPATIONS AG (CH) | 2013-04-03 | — | — | EP | disclosed |