Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TNF | P01375 | 1/20 | 0.48 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31444251 | 0.83 | KDM4E (0.52) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL9478732 | 0.82 | AKR1C4 (0.50) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL2138202 | 0.82 | ALDH1A1 (0.56) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL29214415 | 0.80 | KDM4E (0.54) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL29592373 | 0.80 | GPR35 (0.49) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL382803 | 0.80 | GPR35 (0.49) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL3675267 | 0.80 | KMT2A (0.54) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL30121151 | 0.80 | KMT2A (0.54) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| SCHEMBL2985505 | 0.80 | CA1 (0.53) | KDM4EALDH1A1CYP3A4MAPTPTGS2 | |
| Water SCHEMBL3706268 | 0.78 | GPR35 (0.47) | KDM4EALDH1A1CYP3A4MAPTPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4935511-A | Nervous system, gastrointestinal disorders | RORER PHARMACEUTICAL CORPORATION (US) | 1990-06-19 | — | — | US | disclosed |