Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6632680 | 0.86 | GAA (0.38) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL20551563 | 0.86 | GAA (0.38) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL3979239 | 0.79 | ERN1 (0.39) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL21296457 | 0.77 | PNMT (0.47) | ALDH1A1MEN1KMT2ATDP1CYP1A2 | |
| SCHEMBL22445608 | 0.76 | ACP3 (0.39) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL38142 | 0.76 | ACP3 (0.39) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL2572781 | 0.74 | CYP2A6 (0.33) | ALDH1A1CYP2A6 | |
| SCHEMBL5236200 | 0.74 | CYP1A2 (0.48) | ALDH1A1MEN1KMT2ATDP1CYP1A2 | |
| SCHEMBL14843847 | 0.73 | CES2 (0.39) | — | |
| SCHEMBL3485580 | 0.73 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ATDP1CYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014086697-A1 | SUBSTITUTED THIAZOLE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-12 | — | — | WO | disclosed |
| WO-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |
| EP-2265606-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-12-29 | — | — | EP | disclosed |
| WO-2009129109-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |
| CN-1102596-C | 5H-thiazole [3,2-a] pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-03-05 | — | — | CN | disclosed |
| EP-0891978-B1 | 5H-Thiazolo (3,2-a) pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-5958931-A | NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1999-09-28 | — | — | US | disclosed |
| CN-1206010-A | 5H-thiazole [3,2-a] pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-01-27 | — | — | CN | disclosed |
| EP-0891978-A2 | 5H-Thiazolo (3,2-a) pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-01-20 | — | — | EP | disclosed |