Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5238996 | 0.98 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HRH3KEAP1 | |
| SCHEMBL15515230 | 0.90 | KEAP1 (0.42) | SLC6A2SLC6A4SLC6A3KEAP1SMN1; SMN2 | |
| SCHEMBL5419103 | 0.87 | KEAP1 (0.41) | SLC6A2SLC6A4SLC6A3HRH3KEAP1 | |
| SCHEMBL6872232 | 0.86 | HRH3 (0.42) | HRH3SMN1; SMN2ALDH1A1ACHE | |
| SCHEMBL6872234 | 0.86 | HRH3 (0.42) | HRH3SMN1; SMN2ALDH1A1ACHE | |
| SCHEMBL4526655 | 0.79 | KEAP1 (0.48) | HRH3KEAP1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL11833418 | 0.79 | HRH3 (0.37) | HRH3ACHE | |
| SCHEMBL16162071 | 0.78 | CXCR4 (0.40) | HRH3SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL12937 | 0.75 | ALDH1A1 (0.54) | HRH3KEAP1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL231163 | 0.72 | KMT2A (0.37) | SMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5506359-A | TROPANE COMPOUNDS USEFUL FOR IMAGING AND TREATING PARKINSON'S DISEASE AND COCAINE ABUSE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1996-04-09 | — | — | US | claimed |
| CN-111566109-A | 2,4,6, 7-tetrahydropyrazolo [4,3-d ] pyrimidin-5-one derivatives and related compounds as C5a receptor modulators for the treatment of vasculitis and inflammatory diseases | 爱杜西亚药品有限公司 | 2020-08-21 | — | — | CN | disclosed |
| US-RE31071-E | 6-Aza-3H-1,4-benzodiazepines | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1982-11-02 | — | — | US | disclosed |
| US-4008223-A | SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1977-02-15 | — | — | US | disclosed |