Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1901543 | 0.90 | GSTP1 (0.48) | ESR1ESR2ADORA2AADORA1KDM4E | |
| SCHEMBL4450641 | 0.78 | CYP1A1 (0.47) | ESR1ESR2ADORA2AADORA1KDM4E | |
| SCHEMBL904407 | 0.78 | ALDH1A1 (0.50) | BACE1ADORA2AHSD17B10LMNAMAPT | |
| SCHEMBL22517450 | 0.77 | ADORA2A (0.51) | ESR1ESR2BACE1ADORA2AADORA1 | |
| SCHEMBL931876 | 0.76 | GSTP1 (0.48) | ESR1ESR2ADORA2AADORA1KDM4E | |
| SCHEMBL259164 | 0.75 | GSTP1 (0.47) | ESR1ESR2ADORA2AADORA1KDM4E | |
| SCHEMBL28342460 | 0.75 | ESR1 (0.56) | ESR1ESR2BACE1KDM4EHSD17B10 | |
| SCHEMBL35312 | 0.74 | CYP1A2 (0.52) | ESR1ESR2ADORA2AADORA1KDM4E | |
| SCHEMBL9073917 | 0.73 | MAOA (0.48) | ESR1ADORA2AKDM4EHSD17B10MEN1 | |
| SCHEMBL16107069 | 0.73 | ESR1 (0.73) | ESR1ESR2BACE1ALDH1A1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011055932-A9 | ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME | 덕산하이메탈(주) (KR) | 2011-09-01 | — | — | WO | disclosed |
| WO-2011055932-A2 | ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME | 덕산하이메탈(주) (KR) | 2011-05-12 | — | — | WO | disclosed |