Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21596476 | 0.89 | OPRK1 (0.40) | ALDH1A1KDM4EOPRK1TP53RXFP1 | |
| SCHEMBL2782609 | 0.88 | OPRK1 (0.48) | ALDH1A1KDM4EOPRK1SMN1; SMN2HSD17B10 | |
| SCHEMBL21596477 | 0.85 | OPRK1 (0.40) | KDM4EOPRK1THRBMAPTTP53 | |
| SCHEMBL20472461 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KDM4ECNR2OPRK1ATM | |
| SCHEMBL28522607 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTLMNATP53 | |
| SCHEMBL733159 | 0.80 | OPRK1 (0.49) | OPRK1 | |
| SCHEMBL17845871 | 0.78 | CYP3A4 (0.47) | ALDH1A1KDM4EOPRK1RXFP1SMN1; SMN2 | |
| SCHEMBL27734476 | 0.76 | HSP90AB1 (0.36) | ALDH1A1KDM4ECNR2OPRK1HTT | |
| SCHEMBL28526753 | 0.76 | ATR (0.38) | ALDH1A1OPRK1GABRA2GABRB2 | |
| SCHEMBL16077093 | 0.76 | OPRK1 (0.40) | OPRK1 |
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-112334457-A | Process for preparing tricyclic compounds | 拜耳公司 | 2021-02-05 | — | — | CN | disclosed |