Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7132234 | 0.91 | CA12 (0.40) | CES1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL14977292 | 0.78 | CES1 (0.42) | CES1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL1762224 | 0.74 | CES1 (0.57) | CES1MAP2K1CYP11B1CYP11B2 | |
| SCHEMBL11719507 | 0.73 | HTR1A (0.40) | MEN1KMT2AMAPTMAP2K1OPRM1 | |
| SCHEMBL988203 | 0.73 | CES1 (0.56) | CES1MEN1KMT2AMAPTLMNA | |
| SCHEMBL3133027 | 0.72 | CES1 (0.46) | CES1ALDH1A1MEN1KMT2AALOX12 | |
| SCHEMBL3641742 | 0.71 | HTR2C (0.46) | CES1ALDH1A1MEN1KMT2AALOX12 | |
| SCHEMBL23409643 | 0.71 | CYP11B1 (0.40) | KMT2ACYP11B1CYP11B2 | |
| SCHEMBL3133653 | 0.70 | ALDH1A1 (0.46) | CES1ALDH1A1MEN1KMT2AALOX12 | |
| SCHEMBL3137692 | 0.70 | ALDH1A1 (0.46) | CES1ALDH1A1MEN1KMT2AALOX12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3372600-B1 | FUSED HETEROCYCLIC COMPOUND DERIVATIVE AND APPLICATION THEREOF | NHWA PHARMA CORP (CN) | 2021-09-08 | — | — | EP | disclosed |
| WO-2017071576-A1 | FUSED HETEROCYCLIC COMPOUND DERIVATIVE AND APPLICATION THEREOF | 江苏恩华药业股份有限公司 | 2017-05-04 | — | — | WO | disclosed |