Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | OXTR | P30559 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9764185 | 0.90 | KDM4E (0.48) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL9764095 | 0.78 | ALDH1A1 (0.43) | ALDH1A1KDM4ETDP1L3MBTL1PTGS2 | |
| SCHEMBL9658354 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1L3MBTL1PTGS2 | |
| SCHEMBL9518289 | 0.77 | HMGCR (0.47) | ALDH1A1KDM4ETDP1L3MBTL1MEN1 | |
| SCHEMBL12758829 | 0.73 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1L3MBTL1NPSR1 | |
| SCHEMBL9764313 | 0.72 | PTGS2 (0.43) | ALDH1A1KDM4ETDP1L3MBTL1PTGS2 | |
| SCHEMBL13302194 | 0.72 | HMGCR (0.44) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL13302361 | 0.72 | HMGCR (0.42) | ALDH1A1KDM4ETDP1L3MBTL1CYP3A4 | |
| SCHEMBL9024278 | 0.69 | PTGS2 (0.38) | ALDH1A1PTGS1PTGS2 | |
| SCHEMBL9764105 | 0.68 | MEN1 (0.39) | ALDH1A1KDM4ETDP1L3MBTL1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5032590-A | Substituted hydroxylamines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-07-16 | — | — | US | disclosed |
| US-4994462-A | N,N-Bis(nipecotyl)piperazines | RESEARCH CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| US-4968681-A | Substituted hydroxylamines | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-06 | — | — | US | disclosed |
| EP-0317845-A2 | Substituted hydroxyl amines | BAYER AG (DE) | 1989-05-31 | — | — | EP | disclosed |