Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8179909 | 0.91 | ALDH1A1 (0.51) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL8075068 | 0.85 | NOTUM (0.54) | ALDH1A1KDM4EGAANOTUMRAB9A | |
| SCHEMBL27436629 | 0.83 | SMN1; SMN2 (0.51) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL8184159 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL8471350 | 0.81 | USP2 (0.65) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL8831863 | 0.81 | SMN1; SMN2 (0.49) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL5167385 | 0.81 | CFTR (0.67) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL8185434 | 0.81 | SLC9A1 (0.52) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| Hydrochloric Acid SCHEMBL8379790 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1KMT2AKDM4EMEN1GAA | |
| SCHEMBL8179683 | 0.79 | ALDH1A1 (0.61) | ALDH1A1KMT2AKDM4EMEN1GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6022883-A | Heterocyclyloxybenzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-08 | — | — | US | disclosed |
| US-6022899-A | EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |
| US-5753710-A | INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-05-19 | — | — | US | disclosed |
| US-5665739-A | CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-09-09 | — | — | US | disclosed |
| US-5641792-A | CARDIOTONIC AGENTS, ALSO FOR STROKES AND NERVOUS SYSTEM DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-06-24 | — | — | US | disclosed |
| CN-1126202-A | Heterocyclyloxy benzoylguanidin | MERCK PATENT GMBH (DE) | 1996-07-10 | — | — | CN | disclosed |