Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29807938 | 0.97 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL1022489 | 0.97 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL20503649 | 0.87 | CYP2A6 (0.71) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| Phenol SCHEMBL11035845 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL986607 | 0.84 | ALDH1A1 (0.63) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL21886351 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL7106910 | 0.81 | TSHR (0.62) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL4445751 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL1513821 | 0.81 | TSHR (0.62) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 | |
| SCHEMBL671133 | 0.81 | CYP2A6 (0.67) | ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10 |
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-2017026643-A1 | ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-02-16 | — | — | WO | disclosed |