Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5407322 | 0.84 | AHR (0.47) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL23633182 | 0.82 | HSD17B10 (0.52) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL729622 | 0.82 | HSD17B10 (0.52) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL19916879 | 0.80 | AHR (0.61) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL19766243 | 0.80 | HSD17B10 (0.50) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| Ethylene SCHEMBL27918467 | 0.78 | HSD17B10 (0.48) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL19450358 | 0.78 | AHR (0.54) | ALDH1A1AHRKDM4E | |
| SCHEMBL19916922 | 0.76 | CA1 (0.47) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL19766245 | 0.74 | HPRT1 (0.46) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 | |
| SCHEMBL2029565 | 0.72 | HPRT1 (0.61) | CYP1A2CYP2C19HSD17B10ALDH1A1CYP2A6 |
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-2018038464-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2018-03-01 | — | — | WO | disclosed |