Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2242248 | 0.93 | BCHE (0.44) | BCHECES1RARBRARGHDAC3 | |
| SCHEMBL31714583 | 0.82 | RARB (0.40) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL3797862 | 0.81 | HDAC3 (0.41) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL12428929 | 0.80 | RARB (0.41) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL7703949 | 0.80 | RARB (0.39) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL16896885 | 0.80 | GRIN2D (0.41) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL17276293 | 0.79 | HDAC3 (0.41) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL29706774 | 0.79 | HDAC3 (0.41) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL3796252 | 0.78 | RARB (0.43) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL6797508 | 0.76 | RARB (0.39) | RARBRARGHDAC3HDAC4HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998007716-A2 | HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 1998-02-26 | — | — | WO | disclosed |