Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
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 SCHEMBL8565628 | 0.99 | TACR1 (0.51) | TACR1ITGA4ITGB7 | |
| SCHEMBL8562658 | 0.91 | TACR1 (0.47) | TACR1 | |
| SCHEMBL8563009 | 0.91 | TACR1 (0.51) | TACR1 | |
| SCHEMBL8557846 | 0.90 | TACR1 (0.43) | TACR1 | |
| SCHEMBL8563529 | 0.89 | TACR1 (0.41) | TACR1 | |
| SCHEMBL8565455 | 0.89 | TACR1 (0.51) | TACR1 | |
| SCHEMBL8558335 | 0.89 | TACR1 (0.53) | TACR1 | |
| SCHEMBL8563364 | 0.88 | TACR1 (0.47) | TACR1 | |
| Hydrochloric Acid SCHEMBL8566329 | 0.88 | TACR1 (0.52) | TACR1 | |
| SCHEMBL8564018 | 0.88 | TACR1 (0.53) | TACR1 |
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-5811431-A | Spiro-substituted azacyclic derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 1998-09-22 | — | — | US | disclosed |