Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 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 | |
|---|---|---|---|---|
| SCHEMBL10222545 | 0.78 | CYP2A6 (0.45) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8171694 | 0.78 | CYP2A6 (0.45) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17232444 | 0.77 | CYP1A2 (0.44) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11892891 | 0.76 | CYP1A2 (0.42) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19090106 | 0.74 | CYP1A2 (0.46) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16023601 | 0.74 | CYP2A6 (0.53) | CYP2A6CYP1A2RAB9ASMN1; SMN2PARP15 | |
| SCHEMBL15191909 | 0.73 | MGLL (0.53) | — | |
| SCHEMBL1774025 | 0.72 | CYP2A6 (0.66) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20860956 | 0.72 | CLK1 (0.42) | CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2895956 | 0.72 | KMT2A (0.61) | CYP1A2MEN1KMT2AAKR1C3AKR1C2 |
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-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 |