Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.55 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21243266 | 0.85 | SIGMAR1 (0.47) | SIGMAR1TAAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL3009950 | 0.82 | SIGMAR1 (0.53) | SIGMAR1TAAR1SLC18A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL11525467 | 0.80 | TAAR1 (0.45) | SIGMAR1TAAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL5544627 | 0.79 | NPC1 (0.53) | TAAR1CYP2C19 | |
| SCHEMBL8504186 | 0.78 | TAAR1 (0.60) | SIGMAR1TAAR1 | |
| SCHEMBL7440650 | 0.77 | TAAR1 (0.61) | SIGMAR1TAAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL794607 | 0.76 | SIGMAR1 (0.41) | SIGMAR1TAAR1SLC18A2CYP2D6SLC6A2 | |
| SCHEMBL20357548 | 0.76 | SIGMAR1 (0.42) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL18995752 | 0.76 | TAAR1 (0.47) | SIGMAR1TAAR1SLC18A2SLC6A2MAOA | |
| SCHEMBL14764261 | 0.75 | TAAR1 (0.52) | SIGMAR1TAAR1SLC18A2CYP2D6SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308456-B1 | COMPOSITON FOR THE TREATMENT OF THE EPIDERM | SCHOEFF, Nadine (FR) | 1991-12-04 | — | — | EP | claimed |
| EP-0808303-B1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ASTRAZENECA AB (SE) | 2001-06-20 | — | — | EP | disclosed |
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |