Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL28765435 | 0.87 | POLB (0.45) | TP53CYP1A2GAAALDH1A1L3MBTL1 | |
| SCHEMBL9458952 | 0.86 | KMT2A (0.45) | TP53SMN1; SMN2ALDH1A1L3MBTL1TSHR | |
| SCHEMBL180554 | 0.80 | IDO1 (0.49) | SMN1; SMN2ALDH1A1L3MBTL1TSHRMAPT | |
| Toluene SCHEMBL28301657 | 0.76 | NPC1 (0.48) | SMN1; SMN2CYP1A2GAAALDH1A1L3MBTL1 | |
| SCHEMBL17730904 | 0.75 | SLC18A3 (0.43) | ALDH1A1L3MBTL1TSHRMAPTKDM4E | |
| SCHEMBL26024226 | 0.74 | SLC18A3 (0.42) | SMN1; SMN2GAAALDH1A1L3MBTL1TSHR | |
| SCHEMBL19548535 | 0.72 | KMT2A (0.35) | SMN1; SMN2CYP1A2GAAALDH1A1KDM4E | |
| SCHEMBL19548655 | 0.72 | KMT2A (0.35) | SMN1; SMN2CYP1A2GAAALDH1A1KDM4E | |
| SCHEMBL15785717 | 0.72 | AKR1C3 (0.46) | SMN1; SMN2ALDH1A1L3MBTL1TSHRMAPT | |
| SCHEMBL19548856 | 0.72 | KMT2A (0.35) | SMN1; SMN2CYP1A2GAAALDH1A1KDM4E |
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-5114493-A | Smoking compositions containing a hexahydrobenzofuranone flavorant | PHILIP MORRIS INC. (US) | 1992-05-19 | — | — | US | disclosed |