Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 8/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8771575 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTMAP4K1ATRLMNA | |
| SCHEMBL18930590 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPTMAP4K1LMNAKMT2A | |
| SCHEMBL29882423 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTMAP4K1LMNAKMT2A | |
| SCHEMBL18921616 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTMAP4K1LMNAKMT2A | |
| SCHEMBL23608682 | 0.77 | MALT1 (0.39) | ALDH1A1MAPTMAP4K1ATRLMNA | |
| SCHEMBL20918389 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTMAP4K1LMNAKMT2A | |
| SCHEMBL28595145 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MAPTMAP4K1ATRLMNA | |
| SCHEMBL17512626 | 0.76 | NQO2 (0.44) | ALDH1A1MAPT | |
| SCHEMBL17512465 | 0.76 | SCN10A (0.43) | — | |
| SCHEMBL23581058 | 0.76 | MAP4K1 (0.35) | MAP4K1CYP3A4EGLN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114945571-B | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2025-02-25 | — | — | CN | disclosed |
| EP-4081526-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-11-02 | — | — | EP | disclosed |
| CN-114945571-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2022-08-26 | — | — | CN | disclosed |