Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9411618 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL9193172 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL9157130 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL16323308 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL10053544 | 0.98 | HSD17B1 (0.39) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL14047707 | 0.98 | HSD17B1 (0.39) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL13152210 | 0.94 | HSD17B1 (0.41) | ALDH1A1CYP2C19TDP1KDM4ECYP3A4 | |
| SCHEMBL9161894 | 0.94 | ALDH1A1 (0.43) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL19102572 | 0.94 | CYP3A4 (0.43) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E | |
| SCHEMBL16324036 | 0.94 | CYP3A4 (0.43) | ALDH1A1CYP2C19TDP1L3MBTL1KDM4E |
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-7638206-B2 | Bifunctional compounds and OLED using the same | LG DISPLAY CO., LTD. (KR) | 2009-12-29 | — | — | US | disclosed |
| US-20070141390-A1 | Bifunctional compounds and OLED using the same | LG.PHILIPS LCD CO., LTD. (KR) | 2007-06-21 | — | — | US | disclosed |