Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 15/20 | 0.50 |
| ▸ | CD40 | P25942 | 1/20 | 0.44 |
| ▸ | CD40LG | P29965 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27676330 | 0.87 | HDAC6 (0.58) | HDAC6HDAC1HDAC3HDAC8HDAC2 | |
| SCHEMBL3490877 | 0.85 | CD40 (0.43) | CD40CD40LG | |
| SCHEMBL2705734 | 0.84 | ALDH1A1 (0.45) | CD40CD40LG | |
| SCHEMBL19029181 | 0.82 | HDAC6 (0.71) | HDAC6HDAC1HDAC3HDAC8HDAC2 | |
| SCHEMBL446288 | 0.82 | NPC1 (0.55) | HDAC6 | |
| SCHEMBL7978406 | 0.81 | B3GNT2 (0.44) | CD40CD40LG | |
| SCHEMBL22099898 | 0.81 | MAPT (0.53) | CD40CD40LG | |
| SCHEMBL7987999 | 0.81 | ALDH1A1 (0.43) | CD40CD40LG | |
| SCHEMBL1249005 | 0.81 | TP53 (0.54) | CD40CD40LG | |
| SCHEMBL119640 | 0.81 | TDP1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1202731-A2 | METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-05-08 | — | — | EP | disclosed |
| EP-1144385-A1 | BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2001005390-A2 | METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |
| WO-2000042022-A1 | BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |