Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12430648 | 0.77 | CYP2A6 (0.57) | CYP2A6CYP1A2TDP1AKR1B1MAPT | |
| SCHEMBL144441 | 0.77 | CYP2A6 (0.57) | CYP2A6CYP1A2TDP1AKR1B1MAPT | |
| SCHEMBL12323 | 0.74 | BACE1 (0.58) | CYP2A6CYP1A2TDP1AKR1B1MAPT | |
| SCHEMBL6399142 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP1A2TDP1AKR1B1MAPT | |
| SCHEMBL18936057 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP1A2TDP1AKR1B1MAPT | |
| SCHEMBL17400967 | 0.74 | TUBB4A (0.39) | CYP2A6CYP1A2TDP1MAPTRAB9A | |
| SCHEMBL16023592 | 0.74 | BACE1 (0.62) | CYP2A6CYP1A2TDP1MAPTDYRK1A | |
| SCHEMBL17400987 | 0.74 | CYP2A6 (0.44) | CYP2A6CYP1A2RAB9ASMN1; SMN2HDAC6 | |
| SCHEMBL826722 | 0.72 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1AKR1B1MAPT | |
| SCHEMBL13208527 | 0.72 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1AKR1B1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016000599-A1 | C-BENZO FIVE-MEMBERED HETEROAROMATIC RING ARYL GLUCOSIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海阳帆医药科技有限公司 | 2016-01-07 | — | — | WO | disclosed |
| WO-2014138692-A1 | MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS | Califia Bio, Inc. (US) | 2014-09-12 | — | — | WO | disclosed |