Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959203 | 0.88 | DRD2 (0.47) | DRD2S1PR1S1PR3ALDH1A1MAPK1 | |
| SCHEMBL3119147 | 0.85 | DRD2 (0.56) | DRD2HTTALDH1A1LMNAPOLB | |
| SCHEMBL499011 | 0.82 | DRD2 (0.50) | DRD2S1PR1HTTALDH1A1LMNA | |
| SCHEMBL3113521 | 0.81 | DRD2 (0.41) | DRD2S1PR1S1PR3HTTALDH1A1 | |
| SCHEMBL9452824 | 0.81 | DRD2 (0.41) | DRD2HTTPOLBNPC1RAB9A | |
| SCHEMBL697888 | 0.81 | HTT (0.61) | S1PR1S1PR3HTTALDH1A1MAPK1 | |
| SCHEMBL26491007 | 0.80 | DRD2 (0.43) | DRD2S1PR1S1PR3POLBNPC1 | |
| SCHEMBL9128232 | 0.79 | NPC1 (0.43) | DRD2HTTPOLBSMN1; SMN2NPC1 | |
| SCHEMBL7262108 | 0.79 | DRD2 (0.39) | DRD2S1PR1S1PR3ALDH1A1MAPK1 | |
| SCHEMBL9137815 | 0.78 | DRD2 (0.40) | DRD2S1PR1S1PR3POLBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2655307-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | Givaudan SA (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085287-A1 | COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS | GIVAUDAN SA (CH) | 2012-06-28 | — | — | WO | disclosed |