Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.46 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14924046 | 0.87 | HRH3 (0.65) | SIGMAR1SLC6A3HRH3MBTD1L3MBTL3 | |
| SCHEMBL10169518 | 0.85 | HRH3 (0.65) | SIGMAR1SLC6A3HRH3MBTD1L3MBTL3 | |
| SCHEMBL10169516 | 0.82 | HRH3 (0.59) | SIGMAR1SLC6A3HRH3MBTD1L3MBTL3 | |
| Hydrochloric Acid SCHEMBL16237943 | 0.81 | HRH3 (0.69) | SIGMAR1SLC6A3HRH3MBTD1L3MBTL3 | |
| SCHEMBL28626129 | 0.81 | HRH3 (0.68) | SIGMAR1SLC6A3HRH3MBTD1L3MBTL3 | |
| SCHEMBL11922748 | 0.79 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3LTA4HMBTD1 | |
| 1-Phenethylpiperidine SCHEMBL917609 | 0.79 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3LTA4HMBTD1 | |
| 1-Phenethylpiperidine SCHEMBL4054824 | 0.79 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3LTA4HMBTD1 | |
| SCHEMBL11589061 | 0.79 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3LTA4HMBTD1 | |
| SCHEMBL22996122 | 0.78 | SIGMAR1 (0.62) | SIGMAR1SLC6A3HRH3LTA4HL3MBTL1 |
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-5021428-A | Novel chemical compounds for the prophylactic treatment of migraine | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-06-04 | — | — | US | claimed |