Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.72 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.72 |
| ▸ | HTR2C | P28335 | 5/20 | 0.50 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11543466 | 0.98 | CHRNB4 (0.69) | CHRNB4CHRNA3HTR2CSLC18A3SIGMAR1 | |
| SCHEMBL28533805 | 0.85 | HTR2C (0.57) | CHRNB4CHRNA3HTR2CSLC18A3SIGMAR1 | |
| SCHEMBL1972232 | 0.84 | CHRNB4 (1.00) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL13916010 | 0.84 | CHRNB4 (1.00) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL30118728 | 0.84 | CHRNB4 (1.00) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL1972897 | 0.82 | CHRNB4 (0.95) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL29988071 | 0.82 | CHRNB4 (0.95) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL11652346 | 0.81 | CHRNB4 (0.47) | CHRNB4CHRNA3HTR2CCHRNB2CHRNA4 | |
| SCHEMBL30493303 | 0.80 | HTR2C (0.72) | CHRNB4CHRNA3HTR2CSLC18A3SIGMAR1 | |
| SCHEMBL11655108 | 0.78 | CHRNB4 (0.44) | CHRNB4CHRNA3HTR2CSLC18A3SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4165371-A | ANALGESICS | RESEARCH CORPORATION (US) | 1979-08-21 | — | — | US | disclosed |
| US-4165371-A | ANALGESICS | RESEARCH CORPORATION (US) | 1979-08-21 | — | — | US | disclosed |
| US-4165371-A | ANALGESICS | RESEARCH CORPORATION (US) | 1979-08-21 | — | — | US | disclosed |