Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.77 |
| ▸ | NPC1 | O15118 | 7/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.77 |
| ▸ | RAB9A | P51151 | 6/20 | 0.67 |
| ▸ | GRM5 | P41594 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 5/20 | 0.57 |
| ▸ | TP53 | P04637 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | PLCG2 | P16885 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371404 | 0.84 | ERN1 (0.51) | MAPTNPC1ALDH1A1RAB9APOLB | |
| SCHEMBL27733629 | 0.81 | POLB (0.65) | MAPTNPC1RAB9APOLBTP53 | |
| SCHEMBL1447455 | 0.79 | POLB (0.55) | MAPTNPC1ALDH1A1POLBTP53 | |
| SCHEMBL7371659 | 0.78 | POLB (0.57) | MAPTALDH1A1POLBTP53KDM4E | |
| SCHEMBL27552674 | 0.76 | NPC1 (0.73) | MAPTNPC1ALDH1A1RAB9AGRM5 | |
| SCHEMBL4183726 | 0.75 | RAB9A (0.81) | MAPTNPC1ALDH1A1RAB9AGRM5 | |
| SCHEMBL27552659 | 0.75 | NPC1 (0.73) | MAPTNPC1ALDH1A1RAB9AGRM5 | |
| SCHEMBL5959914 | 0.74 | NPC1 (0.63) | MAPTNPC1ALDH1A1RAB9AGRM5 | |
| SCHEMBL5959921 | 0.74 | RAB9A (0.75) | MAPTNPC1ALDH1A1RAB9AGRM5 | |
| SCHEMBL2455727 | 0.74 | RAB9A (1.00) | MAPTNPC1ALDH1A1RAB9AGRM5 |
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-102816157-A | Nitrocatechol derivatives as COMT inhibitors | BIAL PORTELA & CA SA | 2012-12-12 | — | — | CN | disclosed |
| CN-101248064-A | Nitrocatechol derivatives as COMT inhibitors | PORTELA & CA SA (PT) | 2008-08-20 | — | — | CN | disclosed |