Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9734095 | 0.81 | ALDH1A1 (0.42) | MAPTLMNAALDH1A1CYP19A1MAOB | |
| SCHEMBL9733839 | 0.81 | SPHK1 (0.34) | ALDH1A1 | |
| SCHEMBL12371032 | 0.72 | NOTUM (0.38) | CYP2C9CYP2C19 | |
| SCHEMBL20715359 | 0.70 | — | — | |
| SCHEMBL10895189 | 0.70 | AKR1C3 (0.61) | AKR1C3AKR1C1GAAMAPTCYP2C9 | |
| SCHEMBL1264103 | 0.70 | AKR1C3 (0.48) | AKR1C3AKR1C1CYP2C19LMNASLC18A3 | |
| SCHEMBL657291 | 0.69 | CTRB1 (0.68) | GAAMAPTCTRB1ALDH1A1BRD4 | |
| SCHEMBL9541619 | 0.69 | CTRB1 (0.68) | GAAMAPTCTRB1ALDH1A1BRD4 | |
| SCHEMBL8069807 | 0.69 | GAA (0.46) | AKR1C3AKR1C1GAAMAPTCYP2C19 | |
| SCHEMBL10835281 | 0.69 | GAA (0.46) | AKR1C3AKR1C1GAAMAPTCYP2C19 |
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 |