Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | TP53 | P04637 | 4/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30663907 | 0.90 | RAB9A (0.53) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL26603179 | 0.90 | RAB9A (0.53) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL337983 | 0.85 | ALDH1A1 (0.58) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL20982735 | 0.83 | ALDH1A1 (0.63) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL434081 | 0.82 | CYP11B2 (0.53) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL20867465 | 0.80 | RAB9A (0.53) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL958660 | 0.79 | RAB9A (0.58) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL17896623 | 0.78 | MEN1 (0.62) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL2890917 | 0.77 | RAB9A (0.49) | ALDH1A1RAB9ANPC1TP53MAPT | |
| SCHEMBL1624942 | 0.77 | RAB9A (0.51) | ALDH1A1RAB9ANPC1TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3710442-A2 | BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME | The Scripps Research Institute (US) | 2020-09-23 | — | — | EP | disclosed |