Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 7/20 | 0.42 |
| ▸ | FNTB | P49356 | 7/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 6/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL41969 | 0.75 | SIGMAR1 (0.79) | SIGMAR1KCNH2SLC6A4SLC6A3 | |
| SCHEMBL3963041 | 0.75 | SIGMAR1 (0.79) | SIGMAR1KCNH2SLC6A4SLC6A3 | |
| SCHEMBL30364141 | 0.75 | CYP11B1 (0.56) | SIGMAR1CYP11B1CYP11B2FNTAFNTB | |
| SCHEMBL6599807 | 0.74 | CYP11B1 (0.55) | CYP11B1CYP11B2ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL2195558 | 0.73 | SIGMAR1 (0.77) | SIGMAR1KCNH2SLC6A4SLC6A3 | |
| SCHEMBL29393817 | 0.73 | SIGMAR1 (0.77) | SIGMAR1KCNH2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL16739273 | 0.73 | SIGMAR1 (0.77) | SIGMAR1KCNH2SLC6A4SLC6A3 | |
| SCHEMBL14415972 | 0.73 | CYP11B1 (0.50) | SIGMAR1CYP11B1CYP11B2FNTAFNTB | |
| Hydrochloric Acid SCHEMBL6599039 | 0.73 | CYP11B1 (0.50) | CYP11B1CYP11B2FNTAFNTBPGGT1B | |
| SCHEMBL7548991 | 0.73 | CYP11B1 (0.64) | CYP11B1CYP11B2FNTAFNTBPGGT1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0952842-A2 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-11-03 | — | — | EP | disclosed |
| WO-1997038664-A2 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | disclosed |