Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27394841 | 0.82 | CYP1A2 (0.37) | ALDH1A1KDM4ECYP1A2CYP2C19RAB9A | |
| SCHEMBL24166745 | 0.81 | PTGES (0.32) | — | |
| SCHEMBL31229409 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP1A2CYP2C19RAB9A | |
| SCHEMBL27394837 | 0.75 | CYP2A6 (0.37) | CYP1A2BACE1TRPA1 | |
| SCHEMBL27394605 | 0.70 | CYP2A6 (0.39) | ALDH1A1CYP1A2RAB9A | |
| SCHEMBL24166773 | 0.69 | CYP2A6 (0.37) | ALDH1A1CYP1A2RAB9A | |
| SCHEMBL20800833 | 0.69 | HPRT1 (0.48) | ALDH1A1CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL21453541 | 0.69 | KDM4E (0.34) | ALDH1A1KDM4E | |
| SCHEMBL31229554 | 0.69 | HPRT1 (0.46) | ALDH1A1 | |
| SCHEMBL22947709 | 0.69 | CYP1A2 (0.41) | ALDH1A1KDM4ECYP1A2CYP2C19RAB9A |
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-2022004994-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME | 덕산네오룩스 주식회사 | 2022-01-06 | — | — | WO | disclosed |