Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.71 |
| ▸ | NPC1 | O15118 | 12/20 | 0.71 |
| ▸ | RAB9A | P51151 | 12/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 11/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.71 |
| ▸ | HPGD | P15428 | 8/20 | 0.71 |
| ▸ | MAPT | P10636 | 7/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.71 |
| ▸ | GAA | P10253 | 5/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.71 |
| ▸ | GLA | P06280 | 2/20 | 0.71 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | GFER | P55789 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | USP2 | O75604 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 4/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | CDK1 | P06493 | 2/20 | 0.55 |
| ▸ | CDK2 | P24941 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071868 | 0.89 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28132179 | 0.87 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL3834420 | 0.84 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL29946404 | 0.84 | ADORA2A (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL62030 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL29567848 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL12071677 | 0.84 | ALDH1A1 (0.69) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL31658934 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL1905839 | 0.84 | ALDH1A1 (0.67) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL4496268 | 0.84 | ALDH1A1 (0.66) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E |
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-104119278-B | A kind of benzimidazole benzaldehyde-p-phenylenediamine bi-schiff base and preparation method thereof | QILU UNIVERSITY OF TECHNOLOGY (CN) | 2017-01-04 | — | — | CN | disclosed |