Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.36 |
| ▸ | F9 | P00740 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17945304 | 0.95 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL22707478 | 0.93 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL17944684 | 0.93 | CYP1A1 (0.43) | CYP1A1CYP1B1CYP1A2SOS1HSD17B1 | |
| SCHEMBL17945223 | 0.92 | CYP1A1 (0.48) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL26003233 | 0.92 | CYP1A1 (0.40) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL17944390 | 0.91 | CYP1A1 (0.48) | CYP1A1CYP1B1CYP1A2ESR1ESR2 | |
| SCHEMBL19080355 | 0.89 | CYP1A1 (0.43) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL17943949 | 0.89 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2SOS1ESR1 | |
| SCHEMBL17944445 | 0.88 | CYP1A1 (0.42) | CYP1A1CYP1B1CYP1A2CA12CA1 | |
| SCHEMBL17944384 | 0.88 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20160218297-A1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-07-28 | — | — | US | disclosed |
| US-20160218297-A1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-07-28 | — | — | US | disclosed |