Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20158021 | 0.87 | LCK (0.46) | ABL1RIN1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL20157512 | 0.85 | NPC1 (0.46) | SMN1; SMN2MAPTALDH1A1LCKFYN | |
| SCHEMBL20157821 | 0.81 | CYP4F2 (0.46) | SMN1; SMN2MAPTALDH1A1HPGDNPC1 | |
| SCHEMBL20157772 | 0.81 | LOXL2 (0.38) | ABL1RIN1MAPTALDH1A1NPC1 | |
| SCHEMBL21362819 | 0.80 | ACHE (0.40) | SMN1; SMN2ALDH1A1LCKFYNNPC1 | |
| SCHEMBL20157609 | 0.79 | ALDH1A1 (0.46) | MAPTALDH1A1HPGDNPC1ACHE | |
| SCHEMBL20157960 | 0.79 | SRD5A2 (0.49) | L3MBTL1MAPTALDH1A1NPC1CYP4F2 | |
| SCHEMBL20158157 | 0.78 | KMT2A (0.41) | ABL1RIN1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL7577375 | 0.77 | CYP4F2 (0.44) | ABL1RIN1L3MBTL1SMN1; SMN2MAPT | |
| SCHEMBL20157984 | 0.77 | NPC1 (0.38) | SMN1; SMN2MAPTALDH1A1HPGDLCK |
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 |