Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8895428 | 0.83 | SLC6A3 (0.56) | PTGS2EGFRVCAM1KDM4EALDH1A1 | |
| SCHEMBL7824603 | 0.82 | CA12 (0.53) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8067699 | 0.80 | PTGS2 (0.60) | PTGS2EGFRCA12CA1CA2 | |
| SCHEMBL9436755 | 0.80 | PTGS2 (0.60) | PTGS2EGFRCA12CA1CA2 | |
| SCHEMBL2771877 | 0.78 | PTGS2 (0.52) | PTGS2EGFRVCAM1KDM4EALDH1A1 | |
| SCHEMBL3359577 | 0.78 | CA12 (0.65) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL8796477 | 0.77 | TDP1 (0.50) | PTGS2ACLYALDH1A1PKMROCK2 | |
| SCHEMBL2773164 | 0.77 | PTGS2 (0.51) | PTGS2EGFRVCAM1KDM4EALDH1A1 | |
| SCHEMBL9436730 | 0.77 | PTGS2 (0.50) | PTGS2EGFRACLYROCK2 | |
| SCHEMBL1221576 | 0.76 | TSHR (0.67) | EGFRCA12CA1CA2CA9 |
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 |