Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 2/20 | 0.45 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5756006 | 0.87 | IL1B (0.53) | IL1BTNFNLRP3GAAMAPK1 | |
| Hydrochloric Acid SCHEMBL5756281 | 0.85 | IL1B (0.51) | IL1BTNFNLRP3GAAMAPK1 | |
| SCHEMBL14294339 | 0.82 | HCAR3 (0.42) | GAAMAPK1ALDH1A1KDM4EHPGD | |
| SCHEMBL1752801 | 0.80 | SYK (0.41) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL8046837 | 0.77 | HRH3 (0.45) | MAPK1MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL15382053 | 0.77 | HCAR3 (0.46) | GAACYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL10356814 | 0.77 | CYP2C19 (0.50) | CYP2C19 | |
| SCHEMBL12895618 | 0.77 | HCAR3 (0.39) | GAAALDH1A1KDM4EMAPTHSD17B10 | |
| SCHEMBL8182419 | 0.77 | CYP1A2 (0.46) | GAAMAPK1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL3298983 | 0.76 | IL1B (0.45) | IL1BTNFNLRP3GAAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |