Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20158085 | 0.91 | HTT (0.50) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL21362792 | 0.84 | ALDH1A1 (0.44) | HTTALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL21564711 | 0.83 | ALDH1A1 (0.43) | HTTMAPK1RAB9AALDH1A1HPGD | |
| SCHEMBL20158084 | 0.82 | HTT (0.54) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL20157647 | 0.81 | ALDH1A1 (0.44) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL21362666 | 0.81 | RAB9A (0.38) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL16364815 | 0.80 | HTT (0.58) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL20157564 | 0.80 | LMNA (0.42) | HTTLMNAALDH1A1HPGDKMT2A | |
| SCHEMBL20158040 | 0.79 | ACHE (0.54) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL9774382 | 0.77 | LMNA (0.44) | HTTLMNAMAPK1RAB9AALDH1A1 |
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-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |