Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | DHODH | Q02127 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19957410 | 0.89 | NPSR1 (0.65) | NPSR1DHODHMAPTALDH1A1KDM4E | |
| SCHEMBL31312409 | 0.78 | NPSR1 (0.56) | NPSR1DHODHMAPTALDH1A1KDM4E | |
| SCHEMBL18118628 | 0.76 | DHODH (0.77) | NPSR1DHODHMAPTALDH1A1KDM4E | |
| SCHEMBL5295046 | 0.75 | DHODH (0.65) | NPSR1DHODHMAPTALDH1A1KDM4E | |
| SCHEMBL18988001 | 0.74 | DHODH (0.60) | NPSR1DHODHMAPTALDH1A1KDM4E | |
| SCHEMBL25494338 | 0.74 | NPSR1 (0.57) | NPSR1DHODHMAPTALDH1A1NPC1 | |
| SCHEMBL18988013 | 0.74 | DHODH (0.63) | NPSR1DHODHMAPTKDM4EGAA | |
| SCHEMBL21617578 | 0.73 | ALDH1A1 (0.51) | MAPTALDH1A1KDM4EGAAPOLB | |
| SCHEMBL10862397 | 0.73 | DHODH (0.62) | NPSR1DHODHMAPTALDH1A1KDM4E | |
| SCHEMBL8964150 | 0.72 | CYP1A2 (0.63) | NPSR1DHODHMAPTALDH1A1GAA |
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-3293177-A1 | TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2018-03-14 | — | — | EP | disclosed |