Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 3/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18736532 | 0.73 | TDP1 (0.45) | EGFRSMN1; SMN2MAPTPOLBALDH1A1 | |
| SCHEMBL29034597 | 0.72 | EGFR (0.45) | EGFRMAPTNPC1TDP1 | |
| SCHEMBL7557304 | 0.72 | TDP1 (0.52) | SMN1; SMN2MAPTPOLBALDH1A1KMT2A | |
| SCHEMBL29034602 | 0.70 | GPR35 (0.44) | GPR35HNF4AACMSDDHFRMCL1 | |
| SCHEMBL7622495 | 0.70 | BACE1 (0.44) | BACE1SMN1; SMN2MAPTPTPN1ALDH1A1 | |
| SCHEMBL7952202 | 0.68 | KDM4E (0.45) | SMN1; SMN2MAPTNPC1POLBALDH1A1 | |
| SCHEMBL29034599 | 0.68 | BACE1 (0.43) | BACE1GPR35SMN1; SMN2MAPTHNF4A | |
| SCHEMBL1898784 | 0.67 | CYP3A4 (0.36) | BACE1ALDH1A1 | |
| SCHEMBL11086117 | 0.65 | BACE1 (0.61) | BACE1EGFRGPR35SMN1; SMN2MAPT | |
| SCHEMBL27661998 | 0.65 | CFTR (0.51) | BACE1EGFRMAPTGABRA1GABRG2 |
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-108472381-B | Compounds and therapeutic uses thereof | 森陶里治疗有限公司 | 2023-06-06 | — | — | CN | disclosed |