Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM1A | O60341 | 2/20 | 0.56 |
| ▸ | AKT1 | P31749 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | DDX3X | O00571 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | EDNRA | P25101 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2196395 | 0.85 | AKT1 (0.67) | ALDH1A1AKT1MEN1KMT2ATSHR | |
| SCHEMBL9301664 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KDM1ACA1CA2MMP1 | |
| SCHEMBL9301440 | 0.79 | AKT1 (0.69) | ALDH1A1AKT1CA1CA2MEN1 | |
| SCHEMBL11891722 | 0.79 | AKT1 (0.57) | KDM1AAKT1CA1CA2MEN1 | |
| SCHEMBL299526 | 0.77 | AKT1 (0.71) | AKT1CA1CA2MEN1KMT2A | |
| SCHEMBL3154274 | 0.75 | CA1 (0.61) | AKT1CA1CA2MEN1KMT2A | |
| SCHEMBL1094038 | 0.75 | AKT1 (0.53) | AKT1MEN1KMT2ATSHR | |
| SCHEMBL13590904 | 0.74 | CA2 (0.75) | ALDH1A1CA1CA2MMP1MMP2 | |
| SCHEMBL4101284 | 0.74 | PGR (0.78) | ALDH1A1CA1CA2MMP1MMP2 | |
| SCHEMBL24477126 | 0.73 | AKT1 (0.51) | ALDH1A1AKT1MEN1KMT2ATSHR |
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 |