Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL60545 | 0.89 | CYP3A4 (0.51) | CYP3A4ALDH1A1NPSR1CYP2C19CYP1A2 | |
| SCHEMBL27826514 | 0.84 | CYP3A4 (0.48) | CYP3A4ALDH1A1NPSR1CYP2C19CYP1A2 | |
| SCHEMBL10807674 | 0.81 | RECQL (0.50) | ALDH1A1NPSR1TDP1TP53RECQL | |
| SCHEMBL10452675 | 0.79 | NPSR1 (0.44) | CYP3A4ALDH1A1NPSR1CYP2C19CYP1A2 | |
| SCHEMBL194578 | 0.79 | ALDH1A1 (0.54) | CYP3A4ALDH1A1NPSR1TDP1LMNA | |
| SCHEMBL19862495 | 0.78 | ALDH1A1 (0.50) | CYP3A4ALDH1A1NPSR1TDP1LMNA | |
| SCHEMBL11260413 | 0.76 | KEAP1 (0.46) | ALDH1A1NPSR1TDP1TP53RECQL | |
| SCHEMBL3096091 | 0.76 | RECQL (0.49) | CYP3A4ALDH1A1NPSR1CYP2C19CYP2C9 | |
| SCHEMBL10813751 | 0.76 | NPC1 (0.61) | CYP3A4ALDH1A1NPSR1CYP2C19TDP1 | |
| SCHEMBL4893120 | 0.76 | NPSR1 (0.51) | CYP3A4ALDH1A1NPSR1CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107703658-A | The manufacture method of substrate | 东京应化工业株式会社 | 2018-02-16 | — | — | CN | disclosed |