Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 7/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14337547 | 0.83 | NOTUM (0.41) | NOTUMHDAC1HDAC6CYP1A2CYP2C19 | |
| SCHEMBL20038118 | 0.82 | AOC3 (0.39) | NOTUMAOC3GABRPGABRDGABRA1 | |
| SCHEMBL20249276 | 0.80 | AOC3 (0.37) | NOTUMAOC3HDAC1HDAC6GABRP | |
| SCHEMBL18291288 | 0.80 | AOC3 (0.37) | NOTUMAOC3HDAC6GABRPGABRD | |
| SCHEMBL23951955 | 0.80 | SMN1; SMN2 (0.40) | AOC3HDAC1HDAC6CYP1A2CYP2E1 | |
| SCHEMBL21592981 | 0.79 | ALDH1A1 (0.45) | HDAC1HDAC6TSHRSMN1; SMN2 | |
| SCHEMBL30937169 | 0.77 | HDAC1 (0.41) | NOTUMHDAC1HDAC6CYP1A2CYP2C19 | |
| SCHEMBL4107217 | 0.77 | ALDH1A1 (0.46) | AOC3KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL16454352 | 0.75 | HDAC1 (0.39) | NOTUMHDAC1HDAC6CYP1A2CYP2C19 | |
| SCHEMBL27316414 | 0.74 | ADRA2A (0.42) | HDAC1HDAC6CYP1A2CYP2E1CYP2A6 |
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 |