Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL17209242 | 1.00 | NPC1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL17209299 | 0.95 | NPC1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL17209239 | 0.94 | CYP11B1 (0.33) | CYP11B1ALK | |
| SCHEMBL17209146 | 0.94 | CYP11B1 (0.33) | CYP11B1ALK | |
| SCHEMBL17209230 | 0.93 | TDP2 (0.36) | ALDH1A1KDM4EMAPTHPGDMMP12 | |
| SCHEMBL17209168 | 0.93 | TDP2 (0.36) | ALDH1A1KDM4EMAPTHPGDMMP12 | |
| SCHEMBL17209160 | 0.93 | TDP2 (0.36) | ALDH1A1KDM4EMAPTHPGDMMP12 | |
| SCHEMBL17209247 | 0.93 | TDP2 (0.36) | ALDH1A1KDM4EMAPTHPGDMMP12 | |
| SCHEMBL17209240 | 0.91 | ALK (0.37) | ALDH1A1HPGDALKTSHRMAPK1 | |
| SCHEMBL17209144 | 0.91 | ALK (0.37) | ALDH1A1HPGDALKTSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015163584-A1 | NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME | 주식회사 엘엠에스 | 2015-10-29 | — | — | WO | disclosed |