Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29771463 | 0.89 | ESR2 (0.41) | ALDH1A1TSHRESR2HDAC4HDAC2 | |
| SCHEMBL3883001 | 0.89 | ELANE (0.38) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3892091 | 0.85 | MYC (0.41) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3885257 | 0.83 | S1PR3 (0.39) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL3885143 | 0.79 | MYC (0.40) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| Phosphoric Acid SCHEMBL28234488 | 0.77 | ALDH1A1 (0.48) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3882938 | 0.75 | ESR2 (0.41) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3896492 | 0.75 | HDAC7 (0.41) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL3893677 | 0.75 | ELANE (0.35) | NPC1ALDH1A1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL3896493 | 0.75 | MYC (0.39) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD |
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 |