Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14844278 | 0.73 | HDAC4 (0.36) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL28638708 | 0.71 | — | — | |
| SCHEMBL18400386 | 0.69 | HDAC4 (0.72) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL18400378 | 0.69 | HDAC4 (0.72) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL18400294 | 0.69 | HDAC4 (0.72) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL21380338 | 0.68 | HSD11B1 (0.48) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL1933230 | 0.68 | VNN1 (0.38) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL18752132 | 0.67 | HDAC4 (0.71) | HDAC4LMNANPSR1AKR1C1ALDH1A1 | |
| SCHEMBL5636847 | 0.67 | HDAC4 (0.71) | HDAC4LMNANPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28302332 | 0.66 | MKNK1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763997-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |