Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8581986 | 0.88 | ALDH1A1 (0.38) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8579480 | 0.82 | CA2 (0.45) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8582672 | 0.82 | CA2 (0.45) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8580856 | 0.80 | ALDH1A1 (0.36) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8581767 | 0.79 | CNR2 (0.38) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL8533587 | 0.79 | SLC9A1 (0.38) | — | |
| SCHEMBL8580404 | 0.78 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL8578774 | 0.78 | ALDH1A1 (0.39) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL28772283 | 0.77 | CA2 (0.46) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8580440 | 0.76 | CA2 (0.45) | CA2CA1CA9CA5AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1055920-C | Alkyl benzoylguanidines derivatives | MERCK PATENT GMBH (DE) | 2000-08-30 | — | — | CN | disclosed |
| US-5840761-A | Alkylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-11-24 | — | — | US | disclosed |
| CN-1128753-A | Alkyl benzoylguanidines derivatives | MERCK PATENT GMBH (DE) | 1996-08-14 | — | — | CN | disclosed |