Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1177890 | 0.91 | HTR2A (0.44) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL15802181 | 0.82 | CDK4 (0.36) | HPRT1ALDH1A1HSD17B10TSHRNPSR1 | |
| Piperazine SCHEMBL28875077 | 0.81 | HTR2A (0.39) | ALDH1A1HSD17B10TDP1CYP2A6TSHR | |
| SCHEMBL17015339 | 0.79 | CYP1A2 (0.40) | HPRT1ALDH1A1HSD17B10TDP1CYP1A2 | |
| SCHEMBL17015337 | 0.79 | KDM4E (0.39) | HPRT1ALDH1A1HSD17B10TDP1CYP2A6 | |
| SCHEMBL30960426 | 0.78 | DDB1 (0.42) | ALDH1A1HSD17B10TDP1TSHRCYP2C9 | |
| SCHEMBL15801739 | 0.78 | KDM4E (0.45) | NPSR1BIRC5 | |
| SCHEMBL15802359 | 0.78 | KDM4E (0.45) | NPSR1BIRC5 | |
| SCHEMBL15213666 | 0.77 | KDM4E (0.52) | ALDH1A1MAPK1MAPTBIRC5MEN1 | |
| SCHEMBL22404031 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015093818-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2015-06-25 | — | — | WO | disclosed |
| WO-2015093818-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2015-06-25 | — | — | WO | disclosed |