Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | USP2 | O75604 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20037703 | 0.85 | TSHR (0.54) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL30316071 | 0.85 | PIK3CA (0.42) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL24746056 | 0.85 | PIK3CA (0.42) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL17055150 | 0.81 | CHRNB2 (0.42) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL17054926 | 0.81 | ACVR1 (0.37) | CHRNB2CHRNA4ALDH1A1PIK3CAMTOR | |
| SCHEMBL17055000 | 0.81 | HDAC4 (0.39) | CHRNB2CHRNA4PIK3CAMTORNOS3 | |
| SCHEMBL18291361 | 0.81 | CDK4 (0.40) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL17796825 | 0.81 | FFAR2 (0.41) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL18291277 | 0.80 | TSHR (0.44) | CHRNB2CHRNA4TSHRCYP3A4ALDH1A1 | |
| SCHEMBL31330289 | 0.79 | CHRNB2 (0.38) | CHRNB2CHRNA4SMN1; SMN2PIK3CAMTOR |
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 |