Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 10/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15028836 | 0.96 | CYP17A1 (0.37) | CYP17A1CYP11B1CYP11B2BACE1KCNH2 | |
| SCHEMBL15028784 | 0.90 | ESR1 (0.36) | BACE1KMT2APDE4D | |
| SCHEMBL9926882 | 0.90 | ESR1 (0.37) | BACE1KMT2APDE4D | |
| SCHEMBL9897952 | 0.89 | BACE1 (0.33) | CYP17A1CYP11B1CYP11B2BACE1KCNH2 | |
| SCHEMBL9928451 | 0.89 | BACE1 (0.33) | CYP17A1CYP11B1CYP11B2BACE1KCNH2 | |
| SCHEMBL9899115 | 0.86 | KDM4E (0.34) | BACE1KMT2ACYP3A4 | |
| SCHEMBL16705204 | 0.85 | ESR1 (0.36) | BACE1KMT2APDE4D | |
| SCHEMBL25607194 | 0.83 | KDM4E (0.33) | BACE1KMT2A | |
| SCHEMBL16705200 | 0.82 | PDK2 (0.31) | PDE4D | |
| SCHEMBL25844764 | 0.82 | ALKBH3 (0.33) | BACE1KMT2A |
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-9028728-B2 | Photochromic materials that include indeno-fused naphthopyrans | TRANSITIONS OPTICAL, INC. (US) | 2015-05-12 | — | — | US | disclosed |