Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | KDM1A | O60341 | 1/20 | 0.56 |
| ▸ | DDX3X | O00571 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | EDNRA | P25101 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8356849 | 0.88 | KMO (0.56) | ALDH1A1DNMT1MAPTKDM1ALMNA | |
| Para-Nitrosulfathiazole SCHEMBL338503 | 0.85 | ALDH1A1 (0.67) | ALDH1A1DNMT1MAPTLMNAKDM4E | |
| SCHEMBL848173 | 0.82 | ALDH1A1 (0.62) | ALDH1A1DNMT1MAPTKDM1ALMNA | |
| SCHEMBL18719804 | 0.81 | CA2 (0.62) | ALDH1A1DNMT1MAPTLMNAKDM4E | |
| SCHEMBL9301358 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM1ADDX3XLMNA | |
| SCHEMBL19613863 | 0.79 | LMNA (0.69) | ALDH1A1MAPTKDM1ALMNAKDM4E | |
| SCHEMBL3714999 | 0.79 | ROCK1 (0.53) | ALDH1A1MAPTDDX3XLMNAKDM4E | |
| SCHEMBL13230136 | 0.79 | PKM (0.60) | ALDH1A1KDM1ALMNAKDM4ECYP2C9 | |
| SCHEMBL1094871 | 0.79 | ALDH1A1 (0.57) | ALDH1A1LMNAKDM4ECYP2C9EDNRA | |
| SCHEMBL9301181 | 0.79 | ALDH1A1 (0.69) | ALDH1A1DNMT1LMNAKDM4ECYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |