Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20249280 | 0.84 | NPC1 (0.38) | ALDH1A1MAPTKMT2ANPC1RAB9A | |
| SCHEMBL20037616 | 0.81 | POLB (0.52) | CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3 | |
| SCHEMBL20038036 | 0.80 | PDK2 (0.34) | CHRNB2CHRNA4HTR2CKMT2ANPC1 | |
| SCHEMBL18291305 | 0.78 | CHRM1 (0.44) | — | |
| SCHEMBL20037614 | 0.74 | PDK2 (0.47) | CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3 | |
| SCHEMBL20037767 | 0.73 | POLB (0.47) | CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3 | |
| SCHEMBL1596034 | 0.72 | ALDH1A1 (0.36) | ALDH1A1KMT2ASCN9A | |
| SCHEMBL28830636 | 0.71 | HRH2 (0.38) | HTR2CKMT2ANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL20745829 | 0.70 | ALDH1A1 (0.36) | ALDH1A1KMT2ASCN9A | |
| SCHEMBL4321113 | 0.69 | CHRNB2 (0.40) | CHRNB2CHRNA4HTR2C |
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-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |