Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.77 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.59 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.59 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.55 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL3187009 | 0.97 | CA2 (0.81) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| Hexane SCHEMBL4788148 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| Hexane SCHEMBL18237384 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL687840 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL10788879 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL2492860 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL3003696 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL17329112 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL1704587 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 | |
| SCHEMBL249553 | 0.93 | CA2 (0.83) | CA2MAPK1GRIK1GRIK2SLC1A2 |
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-6262095-B1 | TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA | LABORATOIRE INNOTHERA (FR) | 2001-07-17 | — | — | US | disclosed |
| CN-1204323-A | Use of tricyclic 1,4-dihydro-1,4-dioxo-1 H-naphthalene derivatives, resulting novel compounds and therapeutical use thereof | INNOTHERA LAB SA (FR) | 1999-01-06 | — | — | CN | disclosed |