Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16369085 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL4570427 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL2607224 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL16386586 | 1.00 | SIGMAR1 (0.44) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL12744267 | 0.98 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL14018297 | 0.98 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL14018315 | 0.98 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL12744268 | 0.98 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL22129835 | 0.98 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 | |
| SCHEMBL19763128 | 0.98 | SIGMAR1 (0.43) | SIGMAR1CYP2A6ALDH1A1NPC1XBP1 |
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-20180002539-A1 | VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2018-01-04 | — | — | US | disclosed |