Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157701 | 0.78 | LMNA (0.39) | LMNACYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL20157931 | 0.76 | GAA (0.38) | LMNASMN1; SMN2ACHECYP3A4CYP2C19 | |
| SCHEMBL20157428 | 0.75 | MLKL (0.35) | ALDH1A1LMNAACHECYP3A4CYP2D6 | |
| SCHEMBL21362510 | 0.71 | OPRK1 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL21362758 | 0.71 | S1PR3 (0.38) | — | |
| SCHEMBL20157996 | 0.71 | — | — | |
| SCHEMBL16169582 | 0.69 | ALDH1A1 (0.41) | ALDH1A1LMNACYP3A4CYP2C19MEN1 | |
| SCHEMBL21352143 | 0.69 | BRD4 (0.34) | KMT2ATHRATHRB | |
| SCHEMBL20157371 | 0.69 | ACHE (0.44) | ALDH1A1LMNAACHEMEN1KMT2A | |
| SCHEMBL11854000 | 0.68 | MLKL (0.41) | ALDH1A1LMNACYP3A4CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |