Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | Q9HBH1 | 1/20 | 0.32 | |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158056 | 0.90 | ACHE (0.35) | ACHEALDH1A1BCHELMNAMTNR1A | |
| SCHEMBL21362523 | 0.88 | ACHE (0.33) | ACHEALDH1A1BCHEMTNR1AMTNR1B | |
| SCHEMBL20158011 | 0.82 | CA12 (0.38) | ACHEALDH1A1BCHELMNAMTNR1A | |
| SCHEMBL20157485 | 0.80 | ALDH1A1 (0.41) | ACHEALDH1A1BCHEPDFCYP1A2 | |
| SCHEMBL20158058 | 0.80 | ALDH1A1 (0.41) | ACHEALDH1A1BCHELMNAPDF | |
| SCHEMBL21564703 | 0.78 | MAPT (0.33) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| SCHEMBL21362793 | 0.76 | PKM (0.49) | ACHEALDH1A1BCHESMN1; SMN2CYP1A2 | |
| SCHEMBL20157609 | 0.76 | ALDH1A1 (0.46) | ACHEALDH1A1BCHECYP1A2CYP2C19 | |
| SCHEMBL21550462 | 0.76 | NPC1 (0.36) | ALDH1A1LMNAMEN1KMT2AHPGD | |
| SCHEMBL20158078 | 0.73 | — | — |
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 |