Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL29070078 | 0.92 | CYP2C9 (0.45) | CYP2C9ALDH1A1TSHRLMNAMAPK1 | |
| SCHEMBL8056514 | 0.85 | NPC1 (0.45) | CYP2C9ALDH1A1TSHRLMNAMAPK1 | |
| SCHEMBL8056203 | 0.80 | ALDH1A1 (0.44) | CYP2C9ALDH1A1TSHRLMNAMAPK1 | |
| SCHEMBL17957599 | 0.79 | KEAP1 (0.52) | CYP2C9ALDH1A1TSHRLMNAMAPK1 | |
| SCHEMBL668237 | 0.78 | KDM4E (0.62) | ALDH1A1TSHRLMNAMAPK1KDM4E | |
| SCHEMBL8060706 | 0.76 | HTR2B (0.42) | TSHR | |
| SCHEMBL8056485 | 0.75 | CA12 (0.53) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL8057027 | 0.75 | RAB9A (0.43) | CYP2C9ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL8056280 | 0.75 | KDM4E (0.43) | ALDH1A1TSHRKDM4ESMN1; SMN2NPC1 | |
| SCHEMBL29070074 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRLMNAMAPK1SMN1; SMN2 |
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 |