Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RUNX1 | Q01196 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27775336 | 0.82 | KDM4E (0.41) | SMN1; SMN2CA12CA1CA2CA7 | |
| SCHEMBL29525223 | 0.79 | NNMT (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3816388 | 0.79 | NNMT (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27931908 | 0.77 | HDAC1 (0.41) | HDAC1HDAC8HDAC6HDAC5TSHR | |
| SCHEMBL7996271 | 0.76 | CCR1 (0.43) | HDAC6TSHRSMN1; SMN2LIPEKDM4E | |
| SCHEMBL28806907 | 0.75 | SCN5A (0.46) | HDAC1HDAC8HDAC6HDAC5KCNH2 | |
| SCHEMBL9061186 | 0.75 | MKNK1 (0.50) | CA12CA9SCN1AKCNH2SCN5A | |
| SCHEMBL16838765 | 0.75 | LMNA (0.59) | TSHRSMN1; SMN2LMNALIPEKDM4E | |
| SCHEMBL16559590 | 0.74 | NFE2L2 (0.40) | HDAC1HDAC8HDAC6HDAC5CA1 | |
| SCHEMBL23636837 | 0.73 | SLC7A5 (0.39) | LMNAKDM4EALDH1A1MAPTL3MBTL1 |
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-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-0989987-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998054187-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |