Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27358463 | 0.87 | CETP (0.43) | NPC1RAB9ASMN1; SMN2CA1CA2 | |
| SCHEMBL20867336 | 0.81 | HDAC1 (0.36) | LMNAHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL22019074 | 0.80 | NPC1 (0.38) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL10180988 | 0.79 | CNR1 (0.55) | TP53ALDH1A1MAPTHPGDMAPK1 | |
| SCHEMBL5960697 | 0.76 | SMN1; SMN2 (0.34) | ALDH1A1MAPTHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL20861736 | 0.75 | HDAC1 (0.35) | ALDH1A1MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL24202123 | 0.75 | TP53 (0.42) | TP53ALDH1A1MAPTHPGDMAPK1 | |
| SCHEMBL21133081 | 0.73 | TP53 (0.41) | TP53ALDH1A1MAPTHPGDMAPK1 | |
| SCHEMBL18425800 | 0.73 | TP53 (0.41) | TP53ALDH1A1MAPTHPGDMAPK1 | |
| SCHEMBL10140100 | 0.73 | ALDH1A1 (0.39) | ALDH1A1MAPTSMN1; SMN2KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021191219-A1 | N-PHENYL-3-MERCAPTOPROPANAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-09-30 | — | — | WO | disclosed |