Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.38 |
| ▸ | PARL | Q9H300 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7749157 | 0.81 | CYP3A4 (0.41) | ALDH1A1GAAMEN1KMT2ALMNA | |
| SCHEMBL4631255 | 0.80 | POLB (0.47) | ALDH1A1GAAOPRL1MEN1KMT2A | |
| SCHEMBL7749207 | 0.76 | OPRL1 (0.39) | ALDH1A1GAAOPRM1OPRL1MEN1 | |
| SCHEMBL4631314 | 0.75 | OPRL1 (0.45) | ALDH1A1GAAOPRM1OPRL1MEN1 | |
| SCHEMBL3286704 | 0.69 | PARL (0.60) | ALDH1A1PARLMEN1KMT2ATSHR | |
| SCHEMBL8366661 | 0.68 | MEN1 (0.38) | ALDH1A1GAAMEN1KMT2ACYP2C19 | |
| SCHEMBL7745888 | 0.67 | VDR (0.41) | ALDH1A1GAAOPRM1OPRL1MEN1 | |
| SCHEMBL1493760 | 0.66 | PARL (0.56) | ALDH1A1GAAPARLMEN1KMT2A | |
| SCHEMBL28177660 | 0.66 | PARL (0.56) | ALDH1A1PARLMEN1KMT2ALMNA | |
| SCHEMBL6543519 | 0.66 | KDM4E (0.40) | ALDH1A1GAAMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6242637-B1 | USED IN TREATMENT INVOLVING THE TACHYKININ SYSTEM, SUCH AS PAIN, ALLERGY AND INFLAMMATION, CIRCULATORY, GASTROINTESTINAL, NEUROLOGICAL, AND NEUROPSYCHIATRIC DISORDERS | SANOFI-SYNTHELABO (FR) | 2001-06-05 | — | — | US | disclosed |
| US-6011154-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 2000-01-04 | — | — | US | disclosed |
| US-5977359-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1999-11-02 | — | — | US | disclosed |
| US-5869663-A | INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1999-02-09 | — | — | US | disclosed |
| US-5641777-A | NEUROKININ RECEPTOR ANTAGONIST | SANOFI (FR) | 1997-06-24 | — | — | US | disclosed |