Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.47 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.47 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20200259 | 1.00 | CHRNB2 (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL2378814 | 1.00 | CHRNB2 (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL12245483 | 1.00 | CHRNB2 (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| Hydrochloric Acid SCHEMBL2377796 | 0.98 | CHRNB2 (0.45) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL26153450 | 0.87 | CHRNB2 (0.54) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL14173617 | 0.84 | CHRNB2 (0.56) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL6628756 | 0.84 | CHRNB2 (0.56) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL20745368 | 0.83 | PLA2G1B (0.38) | MMP2ANPEPGAAKMT2AALDH1A1 | |
| SCHEMBL20497839 | 0.83 | PLA2G1B (0.38) | MMP2ANPEPGAAKMT2AALDH1A1 | |
| SCHEMBL6522699 | 0.83 | PLA2G1B (0.38) | MMP2ANPEPGAAKMT2AALDH1A1 |
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-2010063634-A1 | PYRROLOPYRAZINYL UREA KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-10 | — | — | WO | disclosed |