Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27715947 | 0.89 | ALDH1A1 (0.71) | ALDH1A1CES2LMNAHTTMAPT | |
| SCHEMBL10679792 | 0.83 | ALDH1A1 (0.77) | ALDH1A1HTTMAPTSMN1; SMN2KDM4E | |
| SCHEMBL27405553 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CES2LMNAHTTMAPT | |
| Dimethylcarbate SCHEMBL28230671 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CES2LMNAHTTMAPT | |
| Methyl Alcohol SCHEMBL28251314 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CES2LMNAHTTMAPT | |
| SCHEMBL11010668 | 0.79 | LMNA (0.60) | ALDH1A1CES2LMNAHTTMAPT | |
| SCHEMBL5313439 | 0.79 | MAPT (0.60) | ALDH1A1CES2LMNAHTTMAPT | |
| SCHEMBL27497022 | 0.79 | GAA (0.60) | ALDH1A1CES2LMNAHTTMAPT | |
| SCHEMBL29355334 | 0.79 | CES2 (0.75) | ALDH1A1CES2LMNAHTTMAPT | |
| SCHEMBL11230405 | 0.79 | CES2 (0.75) | ALDH1A1CES2LMNAHTTMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106999478-A | It is used as the Diarylurea derivatives of P38 kinase inhibitors | 瑞斯比维特有限公司 | 2017-08-01 | — | — | CN | disclosed |
| EP-0253711-A1 | 1H,3H-pyrrolo[1,2-c]thiazole derivatives, their preparation and pharmaceutical compositions containing them | RHONE-POULENC SANTE (FR) | 1988-01-20 | — | — | EP | disclosed |