Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | FDPS | P14324 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8601894 | 1.00 | HDAC1 (0.54) | HDAC1TTRAPPPTPN1FDPS | |
| SCHEMBL3366899 | 0.82 | HDAC1 (0.80) | HDAC1HDAC6 | |
| SCHEMBL3366897 | 0.82 | HDAC1 (0.80) | HDAC1HDAC6 | |
| SCHEMBL5131242 | 0.81 | HDAC1 (0.55) | HDAC1KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL4255782 | 0.81 | KMT2A (0.57) | HDAC1PTPN1KDM4EKMT2AMAPT | |
| SCHEMBL4255778 | 0.81 | KMT2A (0.57) | HDAC1PTPN1KDM4EKMT2AMAPT | |
| SCHEMBL3218161 | 0.78 | AKR1B1 (0.58) | HDAC1 | |
| SCHEMBL3218146 | 0.78 | AKR1B1 (0.58) | HDAC1 | |
| SCHEMBL11072455 | 0.75 | ABCG2 (0.65) | KDM4EKMT2AMAPTALDH1A1MEN1 | |
| SCHEMBL2981503 | 0.74 | NQO2 (0.51) | TTRKDM4EKMT2AMAPTGAA |
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-5849764-A | Antagonists of gonadotropin releasing hormone | MERCK & CO., INC. (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0871624-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (US) | 1998-10-21 | — | — | EP | disclosed |
| EP-0871628-A1 | QUINOLIZINONE TYPE COMPOUNDS | Abbott Laboratories (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997021703-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1997-06-19 | — | — | WO | disclosed |