Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13720871 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL13721232 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL13721359 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL13721067 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL13720896 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL6858381 | 0.98 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL12249724 | 0.97 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL4579204 | 0.96 | SIGMAR1 (0.41) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL1813433 | 0.96 | SIGMAR1 (0.41) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 | |
| SCHEMBL14018316 | 0.96 | SIGMAR1 (0.41) | SIGMAR1CYP1A2CYP2A6MAOAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7396599-B2 | Binuclear organometallic complexes and organic electroluminescent display device using the same | SAMSUNG SDI CO., LTD. (KR) | 2008-07-08 | — | — | US | disclosed |