Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19534018 | 0.99 | ALDH1A1 (0.43) | ALDH1A1MAPK1P2RX7SMN1; SMN2KDM4E | |
| SCHEMBL18767668 | 0.97 | P2RX7 (0.43) | ALDH1A1MAPK1P2RX7SMN1; SMN2KDM4E | |
| SCHEMBL19007184 | 0.93 | P2RX7 (0.46) | ALDH1A1P2RX7MAPTNPC1RAB9A | |
| SCHEMBL18779935 | 0.91 | CFTR (0.35) | ALDH1A1P2RX7SMN1; SMN2KDM4ELMNA | |
| SCHEMBL15749799 | 0.91 | ALDH1A1 (0.39) | ALDH1A1MAPK1P2RX7SMN1; SMN2KDM4E | |
| SCHEMBL18885397 | 0.88 | P2RX7 (0.50) | ALDH1A1P2RX7KDM4EMAPTNPC1 | |
| SCHEMBL19013205 | 0.86 | P2RX7 (0.44) | ALDH1A1P2RX7KDM4EMAPTNPC1 | |
| SCHEMBL18561038 | 0.86 | P2RX7 (0.40) | ALDH1A1P2RX7KDM4EMAPTNPC1 | |
| SCHEMBL18935227 | 0.84 | P2RX7 (0.42) | ALDH1A1P2RX7SMN1; SMN2KDM4ELMNA | |
| SCHEMBL15690774 | 0.83 | MEN1 (0.41) | ALDH1A1P2RX7SMN1; SMN2LMNAMAPT |
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-2016105072-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2016-06-30 | — | — | WO | disclosed |