Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C1R | P00736 | 7/20 | 0.61 |
| ▸ | F2 | P00734 | 1/20 | 0.61 |
| ▸ | PLG | P00747 | 1/20 | 0.61 |
| ▸ | KLK1 | P06870 | 1/20 | 0.61 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.61 |
| ▸ | C1S | P09871 | 1/20 | 0.61 |
| ▸ | TOP2A | P11388 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL171055 | 0.86 | TOP2A (0.62) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL29504749 | 0.86 | TOP2A (0.62) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL12854009 | 0.84 | TOP2A (0.60) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL824375 | 0.82 | NPC1 (0.69) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL29531707 | 0.82 | NPC1 (0.69) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL29627559 | 0.79 | ALDH1A1 (0.65) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL30682 | 0.79 | ALDH1A1 (0.65) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL30096340 | 0.79 | ALDH1A1 (0.65) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL15976158 | 0.78 | TOP2A (0.58) | TOP2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL1223141 | 0.78 | TOP2A (0.82) | TOP2ANPC1RAB9AALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-109180590-A | A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free | 福建医科大学 | 2019-01-11 | — | — | CN | disclosed |