Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL11707340 | 0.97 | KDM4E (0.44) | KDM4EAKR1C1AKR1C3TP53L3MBTL1 | |
| SCHEMBL11703155 | 0.86 | MDM2 (0.50) | TP53FFAR4 | |
| SCHEMBL11705768 | 0.84 | USP5 (0.40) | KDM4EFFAR4GAAALDH1A1POLB | |
| SCHEMBL11704881 | 0.83 | ALDH1A1 (0.40) | KDM4ETP53L3MBTL1MAPTALDH1A1 | |
| SCHEMBL11703684 | 0.83 | TP53 (0.35) | KDM4ETP53FFAR4GAA | |
| SCHEMBL31147295 | 0.82 | SRD5A1 (0.43) | AKR1C1AKR1C3SRD5A1 | |
| SCHEMBL11701506 | 0.81 | MEN1 (0.44) | ALDH1A1POLB | |
| SCHEMBL11705075 | 0.81 | HPGD (0.40) | KDM4ETP53L3MBTL1MAPTALDH1A1 | |
| SCHEMBL8921056 | 0.77 | DDB1 (0.46) | AKR1C1AKR1C3SRD5A1ALDH1A1POLB | |
| SCHEMBL766285 | 0.75 | AKR1C3 (0.53) | AKR1C1AKR1C3FFAR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025558-A | SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE | THE UPJOHN COMPANY (US) | 1977-05-24 | — | — | US | disclosed |
| US-4010201-A | AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE | THE UPJOHN COMPANY (US) | 1977-03-01 | — | — | US | disclosed |
| US-3932425-A | CNS DEPRESSANT, BLOOD PRESSURE LOWERING | THE UPJOHN COMPANY (US) | 1976-01-13 | — | — | US | disclosed |