Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.52 |
| ▸ | TACR1 | P25103 | 5/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL32676961 | 0.85 | OPRK1 (0.50) | OPRK1ATMNLRP3ALDH1A1KMT2A | |
| SCHEMBL32676897 | 0.85 | OPRK1 (0.50) | OPRK1ATMNLRP3ALDH1A1KMT2A | |
| SCHEMBL32676964 | 0.85 | OPRK1 (0.50) | OPRK1ATMNLRP3ALDH1A1KMT2A | |
| SCHEMBL27388969 | 0.84 | OPRK1 (0.48) | OPRK1ATMNLRP3ALDH1A1KMT2A | |
| SCHEMBL8815317 | 0.84 | L3MBTL1 (0.52) | TACR1ALDH1A1KMT2ATHRBL3MBTL1 | |
| SCHEMBL28883299 | 0.84 | OPRK1 (0.49) | OPRK1ATMNLRP3ALDH1A1KMT2A | |
| SCHEMBL6665303 | 0.84 | ALDH1A1 (0.50) | OPRK1TACR1ATMALDH1A1THRB | |
| SCHEMBL2153385 | 0.84 | TACR1 (0.46) | OPRK1TACR1ATMNLRP3ALDH1A1 | |
| SCHEMBL6139163 | 0.84 | OPRK1 (0.56) | OPRK1TACR1ALDH1A1 | |
| SCHEMBL19331886 | 0.84 | KMT2A (0.57) | OPRK1TACR1ATMALDH1A1KMT2A |
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-2017156265-A1 | DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-09-14 | — | — | WO | disclosed |