Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.43 |
| ▸ | ESRRB | O95718 | 1/20 | 0.43 |
| ▸ | ESRRA | P11474 | 1/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9300716 | 0.82 | KDM4E (0.46) | ESR1ESR2XDHMEN1KMT2A | |
| SCHEMBL2185142 | 0.80 | KDM2B (0.51) | XDHMEN1KMT2ACA1CA2 | |
| SCHEMBL3420178 | 0.78 | SLC6A2 (0.56) | MEN1NPC1RAB9AKMT2ASMAD3 | |
| SCHEMBL30714843 | 0.77 | SLC22A12 (0.46) | ESR1ESR2HIPK2MEN1KMT2A | |
| SCHEMBL10026215 | 0.76 | PTPN1 (0.51) | MEN1NPC1RAB9AKMT2ASMAD3 | |
| SCHEMBL30740947 | 0.73 | CA12 (0.50) | XDHCA9CA12CA1CA2 | |
| SCHEMBL31525283 | 0.72 | PTPN1 (0.60) | MEN1KMT2ACA9CA12CA1 | |
| SCHEMBL4848179 | 0.72 | PTPN1 (0.60) | MEN1KMT2ACA9CA12CA1 | |
| SCHEMBL9939581 | 0.72 | ESR2 (0.45) | ESR1ESR2MIF | |
| SCHEMBL7666210 | 0.71 | XDH (0.46) | XDHCA9CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5308852-A | Cardiovascular disorders | MERCK FROSST CANADA, INC. (CA) | 1994-05-03 | — | — | US | disclosed |
| EP-0579304-A1 | Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1994-01-19 | — | — | EP | disclosed |
| WO-1994000444-A1 | HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1994-01-06 | — | — | WO | disclosed |