Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.39 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31153190 | 0.71 | NPC1 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL15544837 | 0.71 | NPC1 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL31639328 | 0.69 | CHRNB2 (0.36) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3363278 | 0.66 | — | — | |
| SCHEMBL29391823 | 0.66 | — | — | |
| Methane SCHEMBL28204050 | 0.64 | CRHBP (0.44) | MEN1CYP1A2KMT2A | |
| SCHEMBL28300326 | 0.64 | CRHBP (0.44) | MEN1CYP1A2KMT2A | |
| SCHEMBL28576196 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28282573 | 0.64 | CRHBP (0.44) | MEN1CYP1A2KMT2A | |
| SCHEMBL9059885 | 0.64 | CHRNB2 (0.46) | CHRNB2CHRNA4HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012022045-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-02-23 | — | — | WO | disclosed |