Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 9/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24028505 | 0.97 | NQO1 (0.35) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24028942 | 0.95 | KDM4E (0.37) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24028503 | 0.95 | KDM4E (0.34) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24028939 | 0.95 | NQO2 (0.36) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24028495 | 0.93 | KDM4E (0.34) | KDM4EALDH1A1MEN1KMT2ATP53 | |
| SCHEMBL24028775 | 0.93 | KDM4E (0.36) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24029132 | 0.92 | KDM4E (0.36) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24029008 | 0.90 | LIMK1 (0.34) | S1PR5S1PR4KDM4EALDH1A1MEN1 | |
| SCHEMBL24028764 | 0.90 | NQO2 (0.36) | S1PR5S1PR4KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL24223102 | 0.90 | MAPT (0.39) | KDM4EALDH1A1MEN1KMT2ATP53 |
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-2021230654-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |