Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23009837 | 0.84 | ADORA2A (0.44) | KDM4ELMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28146348 | 0.79 | MEN1 (0.55) | KDM4ELMNAALDH1A1HPGDGLA | |
| SCHEMBL22112418 | 0.78 | MEN1 (0.54) | KDM4ELMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL23009764 | 0.72 | KDM4E (0.71) | KDM4ELMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL18920612 | 0.71 | NPC1 (0.61) | KDM4ELMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL26351040 | 0.70 | MEN1 (0.42) | KDM4ELMNAALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30451343 | 0.69 | ALDH1A1 (0.48) | ALDH1A1HPGDDPP4CYP2A6TDP1 | |
| SCHEMBL154146 | 0.69 | ALDH1A1 (0.48) | ALDH1A1HPGDDPP4CYP2A6TDP1 | |
| SCHEMBL27925955 | 0.69 | CYP2A6 (0.50) | ALDH1A1HPGDDPP4CYP2A6CYP1A2 | |
| Naphthalene SCHEMBL27789647 | 0.68 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGDDPP4CYP2A6 |
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-2021029463-A1 | ORGANIC MATERIAL AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 단국대학교 천안캠퍼스 산학협력단 | 2021-02-18 | — | — | WO | disclosed |