Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 2/20 | 0.46 |
| ▸ | RARG | P13631 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8058204 | 0.81 | ALDH1A1 (0.37) | RARBRARGNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8058190 | 0.79 | SLC9A1 (0.43) | — | |
| SCHEMBL8058181 | 0.78 | ALOX5 (0.46) | RARBRARGALOX5NPC1RAB9A | |
| SCHEMBL8056514 | 0.77 | NPC1 (0.45) | ALOX5NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL8062814 | 0.76 | ALDH1A1 (0.35) | RARBRARGNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8060684 | 0.75 | CA1 (0.44) | ALOX5NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL16744298 | 0.75 | RARB (0.73) | RARBRARGALOX5NPC1RAB9A | |
| SCHEMBL8060804 | 0.74 | CYP2C9 (0.46) | RARBRARGALOX5NPC1RAB9A | |
| SCHEMBL8060651 | 0.73 | CA12 (0.41) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1018779 | 0.72 | RARB (0.58) | RARBRARGALOX5NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |