Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5803244 | 0.87 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4RAB9A | |
| SCHEMBL27560334 | 0.83 | CTSK (0.55) | CHRNB2CHRNB4CHRNA3CHRNA4RAB9A | |
| SCHEMBL16649541 | 0.82 | ALDH1A1 (0.41) | RAB9ANPC1ALDH1A1CTSKCTSL | |
| SCHEMBL6155143 | 0.80 | NAAA (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4NPC1 | |
| SCHEMBL6157543 | 0.78 | TRPV1 (0.53) | NPC1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5696776 | 0.78 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA4RAB9A | |
| SCHEMBL297352 | 0.77 | PRKCA (0.57) | ALDH1A1CTSKCTSLCTSBCNR2 | |
| SCHEMBL8614663 | 0.76 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA4RAB9A | |
| SCHEMBL8688629 | 0.76 | PRKCA (0.41) | PRKCAPRKCD | |
| SCHEMBL29263163 | 0.75 | PRKCA (0.56) | ALDH1A1CTSKCTSLCTSBCNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101163482-A | N-alkyl-azacycloalkyl nmda/nr2b antagonists | MERCK & CO INC (US) | 2008-04-16 | — | — | CN | disclosed |