Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | DDX3X | O00571 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29411064 | 0.84 | CYP3A4 (0.50) | KMODDB1CRBNPRKCIHDAC4 | |
| SCHEMBL273350 | 0.84 | CYP3A4 (0.50) | KMODDB1CRBNPRKCIHDAC4 | |
| SCHEMBL7717574 | 0.83 | PRKCI (0.41) | NPC1RAB9AAKR1C3AKR1C1KMO | |
| SCHEMBL31596312 | 0.82 | NPC1 (0.51) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| Hydrochloric Acid SCHEMBL25305777 | 0.82 | CYP3A4 (0.48) | KMODDB1CRBNPRKCIHDAC4 | |
| SCHEMBL21731690 | 0.80 | NPC1 (0.54) | NPC1RAB9AAKR1C3AKR1C1KMO | |
| SCHEMBL2511695 | 0.80 | NPC1 (0.79) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL664284 | 0.80 | NPC1 (0.79) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| SCHEMBL3516198 | 0.80 | NPC1 (0.79) | NPC1RAB9AAKR1C3AKR1C1PDE4A | |
| 3-Aminophenol SCHEMBL11079143 | 0.79 | CA12 (0.61) | NPC1RAB9AAKR1C3AKR1C1NOTUM |
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 |