Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 13/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.36 |
| ▸ | CTSD | P07339 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16705198 | 0.96 | CYP17A1 (0.34) | CYP17A1CYP11B1CYP11B2BACE1KCNH2 | |
| SCHEMBL9897952 | 0.93 | BACE1 (0.33) | CYP17A1CYP11B1CYP11B2BACE1KCNH2 | |
| SCHEMBL9928451 | 0.93 | BACE1 (0.33) | CYP17A1CYP11B1CYP11B2BACE1KCNH2 | |
| SCHEMBL9899115 | 0.90 | KDM4E (0.34) | BACE1KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL25607194 | 0.86 | KDM4E (0.33) | BACE1KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL15028784 | 0.86 | ESR1 (0.36) | BACE1KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL25844764 | 0.85 | ALKBH3 (0.33) | BACE1KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL9926882 | 0.85 | ESR1 (0.37) | BACE1KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL26512584 | 0.84 | BRD4 (0.34) | CYP11B1CYP11B2KMT2AKDM4EMEN1 | |
| SCHEMBL1010971 | 0.84 | CA12 (0.31) | KMT2AKDM4EMEN1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013086248-A1 | PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS | PPG INDUSTRIES, INC. (US) | 2013-06-13 | — | — | WO | disclosed |