Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28201507 | 0.82 | ACHE (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL28202090 | 0.76 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL13060614 | 0.73 | ACHE (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6759201 | 0.71 | ALDH1A1 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11256396 | 0.70 | ADRB2 (0.51) | — | |
| SCHEMBL10609442 | 0.70 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6394555 | 0.69 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL28202092 | 0.68 | MAOA (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL12088081 | 0.68 | PDE5A (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4105153 | 0.68 | ALDH1A1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD |
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-107602478-A | A kind of novel benzimidazoles ion monomer and preparation method thereof | 浙江大学 | 2018-01-19 | — | — | CN | disclosed |