Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10388911 | 1.00 | CA2 (0.50) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL27597342 | 1.00 | CA2 (0.50) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL11420080 | 1.00 | CA2 (0.50) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL27662647 | 0.92 | CA2 (0.48) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL9724296 | 0.90 | FAAH (0.46) | FFAR1MAPTPPARDTP53 | |
| SCHEMBL9724288 | 0.90 | FAAH (0.46) | FFAR1MAPTPPARDTP53 | |
| SCHEMBL18641608 | 0.87 | CA2 (0.57) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL9583659 | 0.87 | CA2 (0.57) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL11196574 | 0.87 | CA2 (0.57) | CA2ALDH1A1TSHRGPR84GRIK1 | |
| SCHEMBL11195651 | 0.87 | CA2 (0.57) | CA2ALDH1A1TSHRGPR84GRIK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5604224-A | NEURODEGENERATIVE DISORDERS | STERLING WINTHROP INC. (US) | 1997-02-18 | — | — | US | disclosed |
| US-5569655-A | Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1996-10-29 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |