Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GALR1 | P47211 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL2363620 | 0.98 | TSHR (0.41) | TSHRCYP2A6MAOAMAOBLMNA | |
| SCHEMBL255956 | 0.98 | TSHR (0.44) | TSHRCYP2A6MAOAMAOBLMNA | |
| SCHEMBL31655439 | 0.98 | TSHR (0.44) | TSHRCYP2A6MAOAMAOBLMNA | |
| Methane SCHEMBL10428157 | 0.96 | TSHR (0.42) | TSHRCYP2A6MAOAMAOBLMNA | |
| SCHEMBL407166 | 0.92 | TSHR (0.48) | TSHRCYP2A6MAOAMAOBLMNA | |
| SCHEMBL30533792 | 0.85 | CA1 (0.47) | TSHRCYP2A6CA2CA1CA9 | |
| SCHEMBL61667 | 0.85 | CA1 (0.47) | TSHRCYP2A6CA2CA1CA9 | |
| Methoxymethane SCHEMBL10859333 | 0.78 | CA2 (0.42) | MAOAMAOBCA2CA1CA9 | |
| SCHEMBL6205306 | 0.76 | CYP2A6 (0.47) | CYP2A6MAOAMAOBLMNACA2 | |
| SCHEMBL3494049 | 0.72 | TSHR (0.50) | TSHRCYP2A6MAOAMAOBL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011083264-A1 | THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LES LABORATOIRES SERVIER (FR) | 2011-07-14 | — | — | WO | claimed |
| WO-2011083264-A1 | THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LES LABORATOIRES SERVIER (FR) | 2011-07-14 | — | — | WO | disclosed |