Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | ACLY | P53396 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10058712 | 0.80 | EGFR (0.63) | SLC6A3SLC6A4EGFRPTGS2TSHR | |
| SCHEMBL818748 | 0.80 | PTGS2 (0.59) | SLC6A3SLC6A4EGFRPTGS2TSHR | |
| SCHEMBL29109366 | 0.80 | SLC6A3 (0.64) | SLC6A3SLC6A4TSHRGABRA1GABRG2 | |
| SCHEMBL5988425 | 0.79 | EGFR (0.62) | EGFRACLYPTGS2TSHRGABRA1 | |
| SCHEMBL28979522 | 0.78 | PTGS2 (0.55) | EGFRACLYPTGS2TSHRGABRA1 | |
| SCHEMBL30277104 | 0.78 | PDK2 (0.48) | SLC6A3SLC6A4EGFRACLYPTGS2 | |
| SCHEMBL6735790 | 0.78 | EGFR (0.56) | EGFRACLYPTGS2TSHRGABRA1 | |
| SCHEMBL12121707 | 0.77 | GABRA1 (0.62) | SLC6A3SLC6A4EGFRTSHRGABRA1 | |
| SCHEMBL6255108 | 0.76 | SLC6A3 (0.55) | SLC6A3SLC6A4EGFRTSHRGABRA1 | |
| SCHEMBL27878777 | 0.76 | TSHR (0.68) | EGFRTSHRGABRG2GABRB3GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0774458-A1 | Substituted benzodicarboxylic acid diguanidines, process for their preparation, and their use as medicament or diagnostic agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-21 | — | — | EP | disclosed |