Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | F2R | P25116 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12371065 | 0.84 | SPHK1 (0.39) | SPHK1MEN1KMT2ANPSR1RORC | |
| SCHEMBL9734101 | 0.81 | AKR1C3 (0.44) | ALDH1A1 | |
| SCHEMBL9734095 | 0.81 | ALDH1A1 (0.42) | MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL12370994 | 0.72 | SPHK1 (0.46) | SPHK1 | |
| SCHEMBL12371071 | 0.71 | SPHK1 (0.58) | SPHK1ALDH1A1 | |
| SCHEMBL4321926 | 0.71 | SPHK1 (0.50) | SPHK1 | |
| SCHEMBL12371055 | 0.70 | SPHK1 (0.60) | SPHK1MGLLALDH1A1 | |
| SCHEMBL1003247 | 0.70 | SPHK1 (0.38) | SPHK1MEN1KMT2AALDH1A1 | |
| SCHEMBL1003245 | 0.70 | SPHK1 (0.38) | SPHK1MEN1KMT2AALDH1A1 | |
| SCHEMBL1003246 | 0.70 | SPHK1 (0.38) | SPHK1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5114493-A | Smoking compositions containing a hexahydrobenzofuranone flavorant | PHILIP MORRIS INC. (US) | 1992-05-19 | — | — | US | claimed |
| US-5114493-A | Smoking compositions containing a hexahydrobenzofuranone flavorant | PHILIP MORRIS INC. (US) | 1992-05-19 | — | — | US | disclosed |