Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.41 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11307885 | 1.00 | CA2 (0.48) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL11299270 | 1.00 | CA2 (0.48) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL4521467 | 0.94 | HSPD1 (0.54) | CA2MAPK1HSPD1BLMHSPE1 | |
| SCHEMBL10442041 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 | |
| SCHEMBL6255008 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 | |
| SCHEMBL6249427 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 | |
| SCHEMBL7652775 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 | |
| SCHEMBL6249423 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 | |
| SCHEMBL7651095 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 | |
| SCHEMBL10441950 | 0.92 | HSPD1 (0.57) | HSPD1BLMHSPE1MAPTMEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101952287-B | Protein kinase inhibitors and use thereof | MERCK SERONO SA | 2013-11-27 | — | — | CN | disclosed |
| EP-2460802-A1 | TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME | Nagoya Institute of Technology (JP) | 2012-06-06 | — | — | EP | disclosed |
| CN-101952287-A | Kinases inhibitor and application thereof | MERCK SERONO SA | 2011-01-19 | — | — | CN | disclosed |
| EP-0350334-A2 | A process for producing fluorine-containing compounds | NIKKO KYODO CO., LTD. (JP) | 1990-01-10 | — | — | EP | disclosed |
| US-4256911-A | TRIFLUOROMETHYL-CARBOXY ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4237276-A | CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY | HOFFMANN-LA ROCHE INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4211724-A | ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM | HOFFMAN-LA ROCHE INC. (US) | 1980-07-08 | — | — | US | disclosed |
| US-4190587-A | PROSTAGLANDINS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-26 | — | — | US | disclosed |
| US-4187381-A | CARDIOVASCULAR AGENTS; OXYTOCICS | HOFFMANN-LA ROCHE INC. (US) | 1980-02-05 | — | — | US | disclosed |
| US-4112225-A | 16-CF3 prostaglandins | HOFFMAN-LA ROCHE INC. (US) | 1978-09-05 | — | — | US | disclosed |