Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 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 SCHEMBL8481763 | 0.99 | TACR1 (0.55) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL8480614 | 0.96 | TACR1 (0.55) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL8481253 | 0.94 | TACR1 (0.59) | TACR1CA1CA2CA4CA9 | |
| SCHEMBL8482175 | 0.88 | TACR1 (0.58) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL8475949 | 0.88 | TACR1 (0.58) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL8475591 | 0.87 | TACR1 (0.57) | TACR1CA1CA2CA4CA9 | |
| SCHEMBL8481079 | 0.83 | TACR1 (0.64) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL8479202 | 0.83 | TACR1 (0.63) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL8480502 | 0.82 | TACR1 (0.58) | TACR1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL7826293 | 0.82 | TACR1 (0.62) | TACR1CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0655442-A1 | Piperazine derivatives as Tachykinin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-05-31 | — | — | EP | disclosed |