Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28856478 | 0.90 | IDO1 (0.48) | IDO1DGAT1ALDH1A1LMNAMAPT | |
| SCHEMBL5761802 | 0.81 | IDO1 (0.46) | IDO1DGAT1ALDH1A1LMNAMAPT | |
| SCHEMBL4976344 | 0.81 | IDO1 (0.46) | IDO1DGAT1ALDH1A1LMNAMAPT | |
| SCHEMBL14379101 | 0.80 | KLK7 (0.46) | IDO1ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL14587514 | 0.79 | SIGMAR1 (0.60) | IDO1ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL766285 | 0.78 | AKR1C3 (0.53) | IDO1DGAT1AKR1C3AKR1C1 | |
| SCHEMBL28066062 | 0.77 | ALDH1A1 (0.39) | IDO1DGAT1ALDH1A1LMNAMAPT | |
| SCHEMBL3538810 | 0.76 | IDO1 (0.57) | IDO1DGAT1AKR1C3AKR1C1NPC1 | |
| SCHEMBL17318281 | 0.76 | IDO1 (0.57) | IDO1DGAT1AKR1C3AKR1C1NPC1 | |
| SCHEMBL3538808 | 0.76 | IDO1 (0.57) | IDO1DGAT1AKR1C3AKR1C1NPC1 |
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-103596431-B | Pyrimidine cyclohexyl glucocorticoid receptor modulators | 科赛普特治疗公司 | 2016-06-22 | — | — | CN | disclosed |