Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | PLAU | P00749 | 4/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8895570 | 0.83 | PTGS2 (0.60) | PTGS2PLAUPOLBVCAM1KDM4E | |
| Hydrochloric Acid SCHEMBL8897001 | 0.79 | PLAU (0.40) | SLC6A3SLC6A2SLC6A4PLAU | |
| Hydrochloric Acid SCHEMBL8897021 | 0.78 | SLC9A1 (0.56) | — | |
| SCHEMBL2771877 | 0.77 | PTGS2 (0.52) | PTGS2POLBVCAM1KDM4EALDH1A1 | |
| SCHEMBL1003761 | 0.77 | KDM4E (0.62) | SLC6A3SLC6A2SLC6A4PLAUCYP19A1 | |
| SCHEMBL7824603 | 0.76 | CA12 (0.53) | PTGS2PLAUPOLBVCAM1ERN1 | |
| Hydrochloric Acid SCHEMBL15414839 | 0.75 | KDM4E (0.60) | SLC6A3SLC6A2SLC6A4PLAUCYP19A1 | |
| SCHEMBL7815690 | 0.75 | PLAU (0.71) | SLC6A3SLC6A2SLC6A4PLAUCYP19A1 | |
| SCHEMBL8894494 | 0.74 | PTGS2 (0.49) | PTGS2POLBVCAM1KDM4EALDH1A1 | |
| SCHEMBL11694270 | 0.74 | SLC6A3 (0.56) | SLC6A3SLC6A2SLC6A4PLAUPOLB |
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-5693672-A | 3,4,5-substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |