Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29489687 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL22721157 | 0.99 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL29489688 | 0.99 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL22728601 | 0.76 | CHRM2 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL22721128 | 0.75 | CHRM2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL29732526 | 0.75 | CHRM2 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL22720980 | 0.74 | SLC6A3 (0.45) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL24923554 | 0.72 | CHRNA7 (0.41) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL16941409 | 0.72 | CHRNA7 (0.41) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 | |
| SCHEMBL15596226 | 0.72 | CHRNA7 (0.41) | SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112010859-B | Fused ring compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2022-07-19 | — | — | CN | disclosed |
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |
| CN-112010859-A | Fused ring compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-12-01 | — | — | CN | disclosed |