Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 3/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20249386 | 0.84 | ADRA1B (0.40) | ADRA1BADRA1DADRA1ADRD3KCNH2 | |
| SCHEMBL21452319 | 0.78 | CDK4 (0.42) | TSHRPDCD1CD274 | |
| SCHEMBL21414409 | 0.77 | PNMT (0.44) | PDCD1CD274NPC1RAB9AKMT2A | |
| SCHEMBL18819902 | 0.77 | PDCD1 (0.52) | PDCD1CD274 | |
| SCHEMBL20038575 | 0.76 | MAPT (0.39) | PDCD1CD274 | |
| SCHEMBL12693988 | 0.75 | CDK4 (0.43) | KCNH2PDCD1CD274 | |
| SCHEMBL18291660 | 0.75 | CDK4 (0.44) | KCNH2PDCD1CD274 | |
| SCHEMBL18820431 | 0.75 | CDK4 (0.42) | PDCD1CD274KMT2A | |
| SCHEMBL20038414 | 0.75 | PDCD1 (0.45) | PDCD1CD274 | |
| SCHEMBL18819903 | 0.74 | CDK4 (0.42) | DRD3PDCD1CD274 |
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 |