Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 7/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28331075 | 0.80 | MMP8 (0.50) | NPC1SMN1; SMN2EPHX2PPARGALDH1A1 | |
| SCHEMBL27829606 | 0.80 | MMP8 (0.50) | NPC1SMN1; SMN2EPHX2PPARGALDH1A1 | |
| SCHEMBL28332593 | 0.78 | MME (0.40) | NPC1KMT2AMEN1MAPTCRHBP | |
| SCHEMBL28297783 | 0.76 | MAPT (0.36) | KMT2AMEN1MAPTCRHBPCRHR2 | |
| SCHEMBL23455090 | 0.72 | ALDH1A1 (0.48) | NPC1KMT2AMEN1MAPTCRHBP | |
| SCHEMBL21527887 | 0.72 | ALDH1A1 (0.48) | NPC1KMT2AMEN1MAPTCRHBP | |
| SCHEMBL21527885 | 0.72 | ALDH1A1 (0.48) | NPC1KMT2AMEN1MAPTCRHBP | |
| SCHEMBL15261624 | 0.71 | MMP8 (0.42) | KMT2AMEN1L3MBTL1SMN1; SMN2MAPK1 | |
| SCHEMBL20002387 | 0.70 | SMN1; SMN2 (0.44) | KMT2AMEN1L3MBTL1SMN1; SMN2MAPK1 | |
| SCHEMBL19996010 | 0.69 | MAPT (0.37) | NPC1KMT2AMEN1MAPTCRHBP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715633-A | Dopamine-B-hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109715155-A | blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2019-05-03 | — | — | CN | disclosed |