Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.34 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL30176731 | 1.00 | DRD4 (0.36) | DRD4PDE9AIDO1HTTKMT2A | |
| SCHEMBL7002587 | 0.74 | GAA (0.42) | KMT2ASMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL30517976 | 0.74 | AAK1 (0.44) | PDE9AIDO1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL30487057 | 0.73 | HTT (0.36) | PDE9AHTTKMT2ASMN1; SMN2HIF1A | |
| SCHEMBL29924789 | 0.73 | HTT (0.36) | PDE9AHTTKMT2ASMN1; SMN2HIF1A | |
| SCHEMBL8288254 | 0.72 | MAPT (0.40) | HTTKMT2ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL2972100 | 0.72 | ALDH1A1 (0.38) | HTTSMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL18291869 | 0.72 | ALDH1A1 (0.38) | DRD4HTTSMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL5264712 | 0.72 | ALDH1A1 (0.38) | SMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL4361327 | 0.72 | DDAH1 (0.55) | HTTSMN1; SMN2NPC1ALDH1A1RAB9A |
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-2022111624-A1 | BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 深圳信立泰药业股份有限公司 | 2022-06-02 | — | — | WO | disclosed |