Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL779786 | 0.85 | HTT (0.53) | HTTNPSR1XBP1LMNACYP1A2 | |
| SCHEMBL4135170 | 0.82 | HTT (0.48) | HTTNPSR1XBP1LMNACYP1A2 | |
| SCHEMBL18632009 | 0.81 | HTT (0.50) | HTTNPSR1XBP1LMNACYP1A2 | |
| SCHEMBL4124339 | 0.79 | CYP17A1 (0.40) | HTTNPSR1XBP1 | |
| SCHEMBL777121 | 0.78 | KDM4E (0.45) | NPSR1LMNACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL778576 | 0.78 | L3MBTL1 (0.47) | HTTNPSR1XBP1LMNASMN1; SMN2 | |
| SCHEMBL780812 | 0.78 | HTT (0.43) | HTTNPSR1XBP1LMNACYP1A2 | |
| SCHEMBL29468646 | 0.78 | HTT (0.43) | HTTNPSR1XBP1LMNACYP1A2 | |
| SCHEMBL4118787 | 0.78 | LMNA (0.53) | HTTNPSR1XBP1LMNACYP1A2 | |
| SCHEMBL778462 | 0.78 | LMNA (0.53) | HTTNPSR1XBP1LMNACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10333172-B2 | Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2019-06-25 | — | — | US | disclosed |
| US-10290901-B2 | — | — | 2019-05-14 | — | — | US | disclosed |
| US-20170084955-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2017-03-23 | — | — | US | disclosed |