Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2384335 | 0.78 | LOXL2 (0.50) | CYP2A6ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL15623133 | 0.78 | CYP2A6 (0.50) | CYP2A6KEAP1ALDH1A1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL2384945 | 0.77 | LOXL2 (0.49) | CYP2A6ALDH1A1MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL28570221 | 0.77 | LOXL2 (0.49) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL2385261 | 0.76 | CYP19A1 (0.46) | CYP2A6MEN1KMT2AHPGDHRH4 | |
| SCHEMBL23936761 | 0.74 | AXL (0.61) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL12795487 | 0.74 | CYP2A6 (0.46) | CYP2A6KEAP1MEN1KMT2AKDM4E | |
| SCHEMBL12848262 | 0.74 | CYP2A6 (0.46) | CYP2A6KEAP1ALDH1A1MEN1KMT2A | |
| SCHEMBL397246 | 0.74 | CYP2A6 (1.00) | CYP2A6KEAP1ALDH1A1MEN1KMT2A | |
| SCHEMBL3191163 | 0.74 | AOC3 (0.48) | CYP2A6ALDH1A1MEN1KMT2AKDM4E |
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-2021093795-A1 | ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 武汉朗来科技发展有限公司 | 2021-05-20 | — | — | WO | disclosed |