Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP4 | P49662 | 2/20 | 0.43 |
| ▸ | CASP5 | P51878 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130874 | 0.84 | HTR1A (0.42) | ALDH1A1KDM4EHTTHTR1ADRD2 | |
| SCHEMBL9671054 | 0.81 | ALDH1A1 (0.46) | CASP1CASP4CASP5ALDH1A1NPSR1 | |
| SCHEMBL9756638 | 0.80 | GBA1 (0.49) | PTPN11MEN1KMT2AGBA1ACHE | |
| SCHEMBL9756669 | 0.72 | HSD17B10 (0.49) | CASP1CASP4CASP5ALDH1A1NPSR1 | |
| SCHEMBL9756680 | 0.72 | MEN1 (0.55) | NPSR1TP53HTTMEN1KMT2A | |
| SCHEMBL9756677 | 0.70 | KMT2A (0.47) | MEN1KMT2ACYP2C19GBA1ACHE | |
| SCHEMBL9756685 | 0.69 | SMN1; SMN2 (0.48) | ALDH1A1MEN1KMT2AGBA1LMNA | |
| SCHEMBL7756372 | 0.67 | ALDH1A1 (0.57) | ALDH1A1KDM4EHTTMEN1KMT2A | |
| SCHEMBL9756679 | 0.67 | GBA1 (0.55) | PTPN11HTTGBA1ACHE | |
| Hydrochloric Acid SCHEMBL8636327 | 0.67 | ALDH1A1 (0.56) | ALDH1A1KDM4EHTTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991011453-A2 | 5-OXYGENATED-2,4,6-TRIAMINOPYRIMIDINES | THE UPJOHN COMPANY (US) | 1991-08-08 | — | — | WO | claimed |