Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9081577 | 0.83 | — | — | |
| SCHEMBL30762 | 0.75 | — | — | |
| SCHEMBL2574923 | 0.73 | L3MBTL1 (0.44) | CYP3A4CYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL28118769 | 0.73 | PIK3CD (0.47) | CYP1A2CYP2C9 | |
| Methane SCHEMBL27440503 | 0.73 | PIK3CD (0.47) | CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL7162864 | 0.73 | PIK3CD (0.47) | CYP1A2CYP2C9 | |
| SCHEMBL3370791 | 0.72 | INMT (0.33) | — | |
| SCHEMBL284047 | 0.72 | L3MBTL1 (0.47) | CYP3A4CYP1A2CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL11155607 | 0.72 | PIK3CD (0.46) | CYP1A2CYP2C9 | |
| SCHEMBL9824257 | 0.72 | PIK3CD (0.32) | CYP3A4HDAC3HDAC4HDAC1HDAC7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0245053-B1 | HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS | ICI AMERICAS INC. (US) | 1992-11-25 | — | — | EP | disclosed |
| US-5118688-A | TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS | ICI AMERICAS INC. (US) | 1992-06-02 | — | — | US | disclosed |
| US-4975435-A | Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety | ICI AMERICAS INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0245053-A1 | Heterocyclic fused tricyclic compounds | ICI AMERICAS INC. (US) | 1987-11-11 | — | — | EP | disclosed |