Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28254806 | 0.81 | ESR2 (0.50) | ESR2ESR1TTRCYP1A2HSD17B14 | |
| SCHEMBL7836070 | 0.81 | ESR2 (0.50) | ESR2ESR1TTRCYP1A2HSD17B14 | |
| SCHEMBL29793267 | 0.81 | ESR2 (0.50) | ESR2ESR1TTRCYP1A2HSD17B14 | |
| SCHEMBL9814961 | 0.78 | ESR1 (0.47) | ESR2ESR1TTRCYP1A2KDM4E | |
| SCHEMBL1060994 | 0.77 | ESR2 (0.59) | ESR2ESR1TTRCYP1A2HSD17B14 | |
| SCHEMBL29522954 | 0.77 | ESR2 (0.59) | ESR2ESR1TTRCYP1A2HSD17B14 | |
| SCHEMBL14780983 | 0.77 | BACE1 (0.53) | CYP1A2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL27671114 | 0.75 | ESR2 (0.57) | ESR2ESR1TTRCYP1A2HSD17B14 | |
| SCHEMBL28838171 | 0.74 | ESR1 (0.44) | ESR2ESR1TTRHSD17B14PFKFB3 | |
| SCHEMBL27811373 | 0.74 | ESR2 (0.55) | ESR2ESR1TTRCYP1A2HSD17B14 |
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 |
|---|---|---|---|---|---|---|---|
| US-8399674-B2 | Quinolines | HOFFMAN-LA ROCHE INC. (US) | 2013-03-19 | — | — | US | disclosed |