Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL2098762 | 0.85 | PTPN1 (0.46) | PTPN1HPGDSGSK3BKCNK3KCNK9 | |
| SCHEMBL29585736 | 0.85 | PTPN1 (0.46) | PTPN1HPGDSGSK3BKCNK3KCNK9 | |
| SCHEMBL2378290 | 0.84 | YAP1 (0.40) | GSK3BTSHRMAPK1NPSR1KDM4E | |
| SCHEMBL976982 | 0.80 | KDM4E (0.50) | TSHRMAPK1KDM4ETDP1ALDH1A1 | |
| SCHEMBL30634443 | 0.79 | PTPN1 (0.46) | PTPN1HPGDSGSK3BMAPK1KDM4E | |
| SCHEMBL3548983 | 0.79 | IRAK4 (0.53) | TSHRMAPK1KDM4EALDH1A1MEN1 | |
| SCHEMBL11826177 | 0.79 | HPGDS (0.47) | PTPN1HPGDSGSK3BTSHRNPSR1 | |
| SCHEMBL9196847 | 0.79 | PTPN1 (0.46) | PTPN1HPGDSGSK3BMAPK1KDM4E | |
| SCHEMBL3665352 | 0.79 | TSHR (0.40) | TSHRMAPK1NPSR1KDM4ETDP1 | |
| SCHEMBL2366561 | 0.79 | ALDH1A1 (0.44) | TSHRMAPK1NPSR1KDM4ETDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539806-B1 | Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity | MERCK PATENT GMBH (DE) | 1995-01-04 | — | — | EP | disclosed |
| US-5276027-A | Thiadiazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-01-04 | — | — | US | disclosed |
| EP-0539806-A1 | Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity | MERCK PATENT GmbH (DE) | 1993-05-05 | — | — | EP | disclosed |