Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19832031 | 0.80 | PTPN1 (0.38) | ALDH1A1MAPK1CYP19A1MEN1KMT2A | |
| SCHEMBL13283146 | 0.78 | TP53 (0.38) | TP53ABCC4LMNAGAATSHR | |
| SCHEMBL25567374 | 0.78 | PTGS1 (0.38) | CYP19A1TP53ABCC4LMNAGAA | |
| SCHEMBL23666532 | 0.77 | AKR1C4 (0.42) | ALDH1A1TP53ABCC4LMNAGAA | |
| SCHEMBL25113117 | 0.77 | AKR1C4 (0.42) | ALDH1A1TP53ABCC4LMNAGAA | |
| SCHEMBL19784912 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MAPK1TP53ABCC4LMNA | |
| SCHEMBL19660691 | 0.77 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP19A1TP53MEN1 | |
| SCHEMBL19660703 | 0.75 | PTGS1 (0.39) | ALDH1A1CYP19A1PTGS1MEN1KMT2A | |
| SCHEMBL3851045 | 0.75 | CYP3A4 (0.53) | CYP19A1 | |
| SCHEMBL6675573 | 0.74 | ESR1 (0.53) | ALDH1A1MAPK1CYP19A1TP53HPGD |
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-2018012780-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT | 덕산네오룩스 주식회사 | 2018-01-18 | — | — | WO | disclosed |