Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5216515 | 1.00 | TRPA1 (0.40) | TRPA1ADRB1ADRB3NPC1RAB9A | |
| SCHEMBL5221576 | 0.89 | NPC1 (0.42) | ADRB1ADRB3NPC1RAB9ASIGMAR1 | |
| SCHEMBL5221569 | 0.89 | NPC1 (0.42) | ADRB1ADRB3NPC1RAB9ASIGMAR1 | |
| SCHEMBL5223463 | 0.84 | OPRD1 (0.41) | NPC1RAB9ABCHEOPRM1OPRD1 | |
| SCHEMBL5223473 | 0.84 | OPRD1 (0.41) | NPC1RAB9ABCHEOPRM1OPRD1 | |
| SCHEMBL609658 | 0.83 | ANPEP (0.42) | NPC1RAB9ABCHEOPRM1OPRD1 | |
| SCHEMBL609656 | 0.83 | ANPEP (0.42) | NPC1RAB9ABCHEOPRM1OPRD1 | |
| SCHEMBL5223500 | 0.82 | OPRM1 (0.40) | ADRB1ADRB3ADRB2BCHEOPRM1 | |
| SCHEMBL5223492 | 0.82 | OPRM1 (0.40) | ADRB1ADRB3ADRB2BCHEOPRM1 | |
| SCHEMBL5224985 | 0.81 | OPRM1 (0.39) | TRPA1NPC1RAB9ABCHECYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567488-B1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |