Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | SCD | O00767 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14009913 | 0.98 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL30002927 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL4873251 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL2586952 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL7080895 | 0.78 | ALDH1A1 (0.62) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL14380967 | 0.74 | CYP3A4 (0.61) | ALDH1A1MAPK1HSD17B10NPSR1CYP3A4 | |
| Carbendazim SCHEMBL5443295 | 0.74 | LMNA (0.64) | ALDH1A1HSD17B10L3MBTL1CYP3A4LMNA | |
| Carbendazim SCHEMBL5440632 | 0.74 | LMNA (0.64) | ALDH1A1HSD17B10L3MBTL1CYP3A4LMNA | |
| SCHEMBL31325495 | 0.74 | HSD17B10 (0.78) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL28050241 | 0.74 | RAB9A (0.68) | ALDH1A1MAPK1HSD17B10NPSR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130123135-A1 | Methods To Identify Modulators of TAS2R48 Receptors | GIVAUDAN SA (CH) | 2013-05-16 | — | — | US | disclosed |
| US-20130115624-A1 | Methods To Identify Modulators | GIVAUDAN S.A. (CH) | 2013-05-09 | — | — | US | disclosed |
| EP-2567229-A1 | METHODS TO IDENTIFY MODULATORS | Givaudan SA (CH) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011138455-A1 | METHODS TO IDENTIFY MODULATORS | GIVAUDAN SA (CH) | 2011-11-10 | — | — | WO | disclosed |