Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.30 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.30 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26914828 | 1.00 | LDHA (0.33) | LDHASRRKDM4ETSHRALOX15 | |
| SCHEMBL29191376 | 0.82 | EGLN1 (0.35) | KDM4E | |
| SCHEMBL29191375 | 0.82 | MGAM (0.37) | TSHRHSD17B10 | |
| SCHEMBL21355685 | 0.81 | EGLN1 (0.46) | KDM4EKDM7APHF8KDM2A | |
| SCHEMBL3355710 | 0.80 | FFAR3 (0.33) | — | |
| SCHEMBL3355714 | 0.80 | FFAR3 (0.33) | — | |
| SCHEMBL17610271 | 0.80 | FFAR3 (0.33) | — | |
| SCHEMBL25242898 | 0.78 | TSHR (0.32) | TSHR | |
| SCHEMBL28995635 | 0.78 | TSHR (0.32) | TSHR | |
| SCHEMBL22531952 | 0.78 | ABAT (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| CN-117715642-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-117357650-A | Pharmaceutical composition comprising SOS1 inhibitor | 武汉人福创新药物研发中心有限公司 | 2024-01-09 | — | — | CN | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |