Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 7/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2516239 | 0.95 | RARB (0.53) | RARBHCAR2POLBCYP2C9CYP2C19 | |
| SCHEMBL2566879 | 0.93 | RARB (0.55) | RARBHCAR2POLBCYP2C9CYP2C19 | |
| SCHEMBL846393 | 0.82 | CYP2C9 (0.61) | HCAR2POLBCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30281282 | 0.82 | CYP2C9 (0.61) | HCAR2POLBCYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL20719501 | 0.81 | KDM4E (0.49) | HCAR2POLBCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2530451 | 0.80 | GPR84 (0.44) | RARBALDH1A1MEN1KMT2ANFKB1 | |
| SCHEMBL2513768 | 0.80 | GPR84 (0.44) | RARBALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL9701286 | 0.80 | RARB (0.59) | RARBALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL914005 | 0.80 | RARB (0.59) | RARBALDH1A1KDM4EMEN1KMT2A | |
| Butane SCHEMBL11036256 | 0.79 | CYP2C9 (0.67) | HCAR2POLBCYP2C9CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106470993-A | The azepine quinazoline inhibitor of Atypical protein kinase C | 癌症研究科技有限公司 | 2017-03-01 | — | — | CN | disclosed |