Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15765152 | 1.00 | CDK4 (0.43) | CDK4CCND1TRPA1ATMALDH1A1 | |
| SCHEMBL14049586 | 0.78 | TRPA1 (0.43) | CDK4CCND1TRPA1ATMALDH1A1 | |
| SCHEMBL17266679 | 0.78 | TRPA1 (0.43) | CDK4CCND1TRPA1ATMALDH1A1 | |
| SCHEMBL7855649 | 0.78 | CDK4 (0.66) | CDK4CCND1TRPA1ATMALDH1A1 | |
| SCHEMBL17191417 | 0.77 | KDM4E (0.54) | TRPA1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL16141695 | 0.76 | KDM4E (0.33) | ALDH1A1KDM4E | |
| SCHEMBL27773602 | 0.75 | TRPA1 (0.48) | CDK4CCND1TRPA1ATMALDH1A1 | |
| SCHEMBL15088369 | 0.75 | ALDH1A1 (0.46) | CDK4CCND1ALDH1A1MEN1KMT2A | |
| SCHEMBL27590087 | 0.74 | TRPA1 (0.68) | TRPA1ATMMAPTCA2NFKB1 | |
| SCHEMBL26746374 | 0.74 | TRPA1 (0.68) | TRPA1ATMMAPTCA2NFKB1 |
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-2017043757-A1 | ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2017-03-16 | — | — | WO | disclosed |