Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3884170 | 0.91 | TDP1 (0.44) | CES2CES1LMNAACHETSHR | |
| SCHEMBL278265 | 0.85 | TSHR (0.39) | CES2CES1TSHRSMN1; SMN2ALDH1A1 | |
| Benzene SCHEMBL28958130 | 0.85 | TSHR (0.39) | CES2CES1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL3883006 | 0.81 | ACHE (0.42) | LMNAACHETSHRALOX12MEN1 | |
| SCHEMBL776257 | 0.77 | KCNN4 (0.38) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL11082106 | 0.76 | CA1 (0.46) | LMNATSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL776892 | 0.75 | CES2 (0.53) | CES2CES1LMNANPC1RAB9A | |
| SCHEMBL3892065 | 0.74 | TSHR (0.36) | ACHETSHRNPC1RAB9AKMT2A | |
| SCHEMBL3883735 | 0.73 | TDP1 (0.42) | CES2CES1LMNAACHETSHR | |
| SCHEMBL3896461 | 0.73 | ACHE (0.48) | LMNAACHETSHRKMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-20090325065-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-12-31 | — | — | US | disclosed |