Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9612453 | 0.86 | ALDH1A1 (0.34) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL13985499 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL9612485 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL27885451 | 0.82 | ALDH1A1 (0.62) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL9612371 | 0.81 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL13249092 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL3799524 | 0.77 | GSTP1 (0.59) | ALDH1A1HSD17B10HPRT1CYP11B1GSTP1 | |
| SCHEMBL28270535 | 0.75 | GSTP1 (0.57) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL17899358 | 0.75 | CYP11B1 (0.45) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL22138522 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 |
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-2008145239-A2 | BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2008-12-04 | — | — | WO | disclosed |