Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 7/20 | 0.65 |
| ▸ | MEN1 | O00255 | 4/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3337164 | 0.84 | NPC1 (0.66) | NPC1KDM4ERECQLNPSR1MAPT | |
| SCHEMBL2293308 | 0.81 | KDM4E (1.00) | NPC1KDM4ERECQLNPSR1MAPT | |
| SCHEMBL7515424 | 0.79 | NPC1 (0.64) | NPC1KDM4ERECQLNPSR1MAPT | |
| SCHEMBL24630455 | 0.77 | RAB9A (0.56) | NPC1KDM4ERECQLMAPTMEN1 | |
| SCHEMBL18237124 | 0.77 | HDAC6 (0.67) | NPC1KDM4ERECQLNPSR1MAPT | |
| SCHEMBL31154111 | 0.75 | KDM4E (0.67) | NPC1KDM4ERECQLNPSR1MAPT | |
| SCHEMBL13599850 | 0.74 | NPC1 (0.81) | NPC1KDM4ERECQLMAPTMEN1 | |
| SCHEMBL20677813 | 0.74 | NPC1 (0.75) | NPC1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL276208 | 0.73 | NPC1 (0.73) | NPC1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL29899998 | 0.73 | NPC1 (0.73) | NPC1KDM4EMAPTMEN1KMT2A |
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-3294715-B1 | BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY | KANCERA AB (SE) | 2020-05-06 | — | — | EP | disclosed |