Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27790261 | 0.71 | CES2 (0.59) | CES2GAASRD5A2KAT6AALDH1A1 | |
| SCHEMBL8503876 | 0.70 | NPSR1 (0.55) | CES2GAAKAT6AALDH1A1POLB | |
| SCHEMBL8059721 | 0.70 | CES2 (0.47) | CES2SRD5A2KAT6ATRPM8ALDH1A1 | |
| SCHEMBL171684 | 0.70 | CES2 (0.71) | CES2SRD5A2POLBPTGS1NPSR1 | |
| SCHEMBL27621589 | 0.70 | CES2 (0.71) | CES2SRD5A2POLBPTGS1NPSR1 | |
| SCHEMBL524006 | 0.70 | CES2 (0.60) | CES2SRD5A2PTGS1 | |
| SCHEMBL25216553 | 0.69 | CES2 (0.61) | CES2GAASRD5A2ALDH1A1POLB | |
| SCHEMBL3876454 | 0.69 | CES2 (0.65) | CES2GAASRD5A2ALDH1A1POLB | |
| SCHEMBL20870672 | 0.69 | CES2 (0.65) | CES2GAASRD5A2ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL1267321 | 0.68 | CES2 (0.69) | CES2SRD5A2POLBPTGS1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0612723-B1 | Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them | HOECHST AG (DE) | 1997-08-27 | — | — | EP | disclosed |
| EP-0612723-A1 | Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-08-31 | — | — | EP | disclosed |