Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL27711864 | 0.79 | PARP1 (0.40) | PARP1MAOAMAOBALDH1A1 | |
| SCHEMBL27835175 | 0.79 | PARP1 (0.40) | PARP1MAOAMAOBALDH1A1TDP2 | |
| SCHEMBL27815639 | 0.78 | PARP1 (0.39) | PARP1MAOAMAOBALDH1A1CES1 | |
| SCHEMBL571851 | 0.77 | CYP3A4 (0.42) | CYP3A4TDP1POLBPARP1SMN1; SMN2 | |
| SCHEMBL28869824 | 0.77 | CYP3A4 (0.42) | CYP3A4TDP1POLBPARP1SMN1; SMN2 | |
| SCHEMBL27459575 | 0.73 | SMN1; SMN2 (0.39) | CYP3A4TDP1POLBSMN1; SMN2CHEK1 | |
| SCHEMBL8686543 | 0.72 | POLB (0.39) | CYP3A4TDP1POLBSMN1; SMN2CHEK1 | |
| SCHEMBL2653647 | 0.72 | CYP3A4 (0.42) | CYP3A4TDP1POLBPARP1SMN1; SMN2 | |
| SCHEMBL27139229 | 0.71 | ATM (0.38) | TDP1POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL9503458 | 0.70 | CYP3A4 (0.51) | CYP3A4TDP1POLBPARP1SMN1; SMN2 |
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-107431248-A | Additive for nonaqueous electrolyte solution, and electricity storage device | 住友精化株式会社 | 2017-12-01 | — | — | CN | disclosed |