Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.51 |
| ▸ | TACR1 | P25103 | 11/20 | 0.48 |
| ▸ | TACR2 | P21452 | 8/20 | 0.48 |
| ▸ | TACR3 | P29371 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.43 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8296084 | 0.86 | CCR5 (0.64) | CCR5TACR1TACR2TACR3CYP3A4 | |
| Hydrochloric Acid SCHEMBL8522900 | 0.85 | CCR5 (0.63) | CCR5TACR1TACR2TACR3CYP3A4 | |
| SCHEMBL8300813 | 0.85 | TACR1 (0.58) | TACR1TACR2TACR3CYP3A4CYP2D6 | |
| SCHEMBL8300790 | 0.80 | EPHX2 (0.51) | TACR1TACR2TACR3CYP3A4CYP2D6 | |
| SCHEMBL8300768 | 0.80 | TACR2 (0.69) | CCR5TACR1TACR2 | |
| SCHEMBL8296058 | 0.76 | TACR2 (0.54) | CCR5TACR1TACR2TACR3CYP3A4 | |
| Hydrochloric Acid SCHEMBL8591404 | 0.76 | TACR2 (0.53) | CCR5TACR1TACR2TACR3CYP3A4 | |
| SCHEMBL8300496 | 0.76 | SLC6A2 (0.54) | CCR5TACR1CYP2D6NPFFR1NPFFR2 | |
| SCHEMBL8300814 | 0.75 | TACR1 (0.73) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL8296371 | 0.75 | SLC6A2 (0.43) | CCR5TACR1ALDH1A1NPFFR1NPFFR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5625060-A | Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present | Sanofi, Elf (FR) | 1997-04-29 | — | — | US | disclosed |
| US-5340822-A | Substance P, neurokinin antagonists | ELF SANOFI (FR) | 1994-08-23 | — | — | US | disclosed |