Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.70 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.63 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.63 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.62 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.59 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.59 |
| ▸ | HPGDS | O60760 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL503140 | 0.90 | LDHA (0.79) | LDHAHSD17B1HSD17B2CHEK1P4HA1 | |
| SCHEMBL31243316 | 0.88 | LDHA (0.77) | LDHAHSD17B1HSD17B2CHEK1P4HA1 | |
| SCHEMBL1785610 | 0.86 | HPGDS (0.71) | LDHAHSD17B1HSD17B2CHEK1HPGDS | |
| SCHEMBL505455 | 0.83 | LDHA (1.00) | LDHAP4HA1P4HTMHPGDSBAZ2B | |
| SCHEMBL2560542 | 0.83 | LDHA (0.68) | LDHAHSD17B1HSD17B2P4HA1P4HTM | |
| SCHEMBL1543156 | 0.83 | HPGDS (0.76) | LDHAP4HA1P4HTMHPGDSCYP4F2 | |
| SCHEMBL21228142 | 0.82 | HSD17B1 (0.56) | LDHAHSD17B1HSD17B2CHEK1HPGDS | |
| SCHEMBL29914699 | 0.82 | HSD17B1 (0.56) | LDHAHSD17B1HSD17B2CHEK1HPGDS | |
| SCHEMBL3226145 | 0.81 | CHEK1 (0.55) | LDHAHSD17B1HSD17B2CHEK1HPGDS | |
| SCHEMBL9939612 | 0.81 | LDHA (0.57) | LDHAHSD17B1HSD17B2CHEK1P4HA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019149205-A1 | BENZOHETEROARYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2019-08-08 | — | — | WO | disclosed |
| EP-2142516-B1 | PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS | SANOFI SA (FR) | 2012-12-26 | — | — | EP | disclosed |
| EP-1235777-B1 | VITAMIN D ANALOGUES | GALDERMA RES & DEV (FR) | 2004-06-16 | — | — | EP | disclosed |
| EP-1235777-A2 | VITAMIN D ANALOGUES | Galderma Research & Development, S.N.C. (FR) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001038303-A2 | VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2001-05-31 | — | — | WO | disclosed |