Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10148079 | 0.92 | ALDH1A1 (0.38) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL6974096 | 0.86 | TRPM8 (0.40) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL12112089 | 0.78 | TRPM8 (0.41) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL12112034 | 0.78 | TRPM8 (0.41) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL10147760 | 0.76 | NPC1 (0.45) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL10147728 | 0.76 | ALDH1A1 (0.42) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL27195261 | 0.71 | TDP1 (0.42) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL22915735 | 0.71 | ALDH1A1 (0.59) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| Acetic Acid SCHEMBL30812592 | 0.70 | ALDH1A1 (0.41) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL10147748 | 0.68 | NPC1 (0.48) | CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8097718-B2 | 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof | ANADYS PHARMACEUTICALS, INC. (US) | 2012-01-17 | — | — | US | disclosed |