Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL24285550 | 0.94 | ESR1 (0.45) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24285641 | 0.93 | ESR1 (0.41) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24285553 | 0.93 | ESR1 (0.43) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24285640 | 0.89 | ESR2 (0.44) | ESR1ESR2DHODHALDH1A1MAPT | |
| SCHEMBL24285632 | 0.88 | ESR1 (0.43) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24397702 | 0.88 | DHODH (0.42) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24397701 | 0.88 | ESR1 (0.42) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24285878 | 0.87 | DHODH (0.44) | ESR1ESR2DHODHGPR84ALDH1A1 | |
| SCHEMBL24285642 | 0.87 | ESR1 (0.42) | ESR1ESR2DHODHALDH1A1MAPT | |
| SCHEMBL22880306 | 0.86 | DHODH (0.47) | ESR1ESR2DHODHALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20220140247-A1 | PLURALITY OF HOST MATERIALS, COMPOSITION COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2022-05-05 | — | — | US | disclosed |