Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7357077 | 0.89 | ABCB11 (0.52) | NPC1RAB9AKDM4EPOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL11304721 | 0.88 | ABCB11 (0.52) | NPC1RAB9AKDM4EPOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL11302741 | 0.86 | NPBWR1 (0.48) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7348936 | 0.84 | AURKA (0.42) | NPC1RAB9AKDM4EPOLBALDH1A1 | |
| SCHEMBL7356104 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11307551 | 0.83 | AMY1A (0.42) | NPC1RAB9AKDM4EPOLBALDH1A1 | |
| SCHEMBL7352293 | 0.82 | NPC1 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL11302544 | 0.81 | NPC1 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL7355829 | 0.81 | MEN1 (0.48) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8891480 | 0.81 | SCD (0.50) | ALDH1A1SMN1; SMN2HPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | disclosed |
| EP-0008391-A1 | Benzimidazoles, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1980-03-05 | — | — | EP | disclosed |