Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8118533 | 0.91 | MCHR1 (0.39) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8590813 | 0.85 | S1PR3 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8782261 | 0.85 | POLB (0.44) | CYP2D6ALDH1A1HPGD | |
| SCHEMBL8838875 | 0.79 | CCKAR (0.39) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9317560 | 0.79 | TRPV1 (0.44) | ALDH1A1MCHR1 | |
| SCHEMBL9318213 | 0.79 | TACR2 (0.47) | — | |
| SCHEMBL8835963 | 0.77 | FNTA (0.49) | CYP3A4SLC6A2LMNAHTT | |
| SCHEMBL7809587 | 0.77 | FNTA (0.53) | LMNAALDH1A1HPGD | |
| SCHEMBL7802907 | 0.73 | ALDH1A1 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4984205 | 0.73 | TACR2 (0.62) | — |
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-5350852-A | Neurokinin A receptor antagonist | SANOFI (FR) | 1994-09-27 | — | — | US | disclosed |
| US-5236921-A | Administrering for treatment of neutrogenic inflammation of the respiratory trart | SANOFI (FR) | 1993-08-17 | — | — | US | disclosed |