Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | TACR1 | P25103 | 5/20 | 0.41 |
| ▸ | CCR3 | P51677 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.40 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 SCHEMBL8521991 | 0.99 | CCR5 (0.42) | CCR5SLC6A2SLC6A4TACR1CCR3 | |
| SCHEMBL8296371 | 0.81 | SLC6A2 (0.43) | CCR5SLC6A2SLC6A4TACR1CCR3 | |
| SCHEMBL8300496 | 0.80 | SLC6A2 (0.54) | CCR5SLC6A2SLC6A4TACR1CCR3 | |
| Hydrochloric Acid SCHEMBL8742517 | 0.79 | SLC6A2 (0.53) | CCR5SLC6A2SLC6A4TACR1CCR3 | |
| SCHEMBL8296084 | 0.78 | CCR5 (0.64) | CCR5TACR1 | |
| Hydrochloric Acid SCHEMBL8522900 | 0.77 | CCR5 (0.63) | CCR5TACR1 | |
| SCHEMBL8296368 | 0.75 | TACR1 (0.50) | CCR5TACR1 | |
| SCHEMBL8300814 | 0.74 | TACR1 (0.73) | CCR5TACR1 | |
| SCHEMBL8296292 | 0.73 | SLC6A4 (0.36) | SLC6A2SLC6A4TACR1SLC6A3 | |
| Hydrochloric Acid SCHEMBL8521990 | 0.73 | TACR1 (0.72) | CCR5TACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999007413-A1 | SUBSTANCE P INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN | ALGOS PHARMACEUTICAL CORPORATION (US) | 1999-02-18 | — | — | WO | claimed |
| JP-5186425-A | — | — | None | — | — | JP | disclosed |
| EP-0512901-B1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI SA (FR) | 1999-06-23 | — | — | EP | disclosed |
| JP-H05186425-A | POLYCYCLIC AMINE COMPOUND, ITS ENANTIOMER, ITS PREPARATION AND PHARMACEUTIC COMPOSITION CONTAINING THOSE | ELF SANOFI | 1993-07-27 | — | — | JP | disclosed |
| EP-0512901-A1 | Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI (FR) | 1992-11-11 | — | — | EP | disclosed |