Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL34985 | 0.92 | SLC6A2 (0.43) | SIGMAR1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL3295732 | 0.89 | SIGMAR1 (0.44) | SIGMAR1PHGDHKDM4EEPHX1 | |
| SCHEMBL3295724 | 0.89 | SIGMAR1 (0.44) | SIGMAR1PHGDHKDM4EEPHX1 | |
| SCHEMBL3911153 | 0.87 | SIGMAR1 (0.41) | SIGMAR1PHGDHKDM4E | |
| SCHEMBL35554 | 0.85 | SLC6A2 (0.38) | SIGMAR1SLC6A4SLC6A2SLC6A3KCNH2 | |
| Bicarbonate SCHEMBL9555184 | 0.82 | SIGMAR1 (0.39) | SIGMAR1PHGDHKDM4EEPHX1 | |
| Bicarbonate SCHEMBL9555194 | 0.82 | SIGMAR1 (0.39) | SIGMAR1PHGDHKDM4EEPHX1 | |
| Trichloroacetic Acid SCHEMBL9636965 | 0.79 | SIGMAR1 (0.34) | SIGMAR1PHGDHKDM4E | |
| Trichloroacetic Acid SCHEMBL9636957 | 0.79 | SIGMAR1 (0.34) | SIGMAR1PHGDHKDM4E | |
| SCHEMBL27624686 | 0.74 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3KCNH2PHGDH |
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-1086088-A2 | NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | Boehringer Ingelheim Pharma KG (DE) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062893-A2 | NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-12-09 | — | — | WO | disclosed |