Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 3/20 | 0.40 |
| ▸ | DDX3X | O00571 | 1/20 | 0.40 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKG1 | Q13976 | 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 | |
|---|---|---|---|---|
| SCHEMBL7715894 | 0.83 | NPC1 (0.54) | PRKCIDDX3XDEGS1ALDH1A1KMO | |
| SCHEMBL2512984 | 0.82 | AKR1C3 (0.56) | DEGS1ALDH1A1HPGDAKR1C3AKR1C1 | |
| SCHEMBL2512986 | 0.82 | AKR1C3 (0.56) | DEGS1ALDH1A1HPGDAKR1C3AKR1C1 | |
| SCHEMBL2555229 | 0.80 | DRD2 (0.48) | BRAF | |
| SCHEMBL2555226 | 0.80 | DRD2 (0.48) | BRAF | |
| SCHEMBL273350 | 0.80 | CYP3A4 (0.50) | PRKCIALDH1A1KMODDB1CRBN | |
| SCHEMBL29411064 | 0.80 | CYP3A4 (0.50) | PRKCIALDH1A1KMODDB1CRBN | |
| Hydrochloric Acid SCHEMBL25305777 | 0.78 | CYP3A4 (0.48) | PRKCIALDH1A1KMODDB1CRBN | |
| SCHEMBL2510878 | 0.77 | HCRTR2 (0.47) | BRAF | |
| SCHEMBL2510880 | 0.77 | HCRTR2 (0.47) | BRAF |
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-2011120877-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-06 | — | — | WO | disclosed |