Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 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 | |
|---|---|---|---|---|
| SCHEMBL2357699 | 0.87 | CA1 (0.35) | CA1CA2BACE1CTSLKDM1A | |
| SCHEMBL2354707 | 0.81 | CA1 (0.41) | CA1CA2NOS3NOS1NOS2 | |
| SCHEMBL8278125 | 0.79 | CA2 (0.42) | CA1CA2BACE1SLC10A2CTSL | |
| SCHEMBL18293059 | 0.79 | CA1 (0.56) | CA1CA2BACE1SLC10A2CTSL | |
| SCHEMBL2357167 | 0.76 | ADRA1D (0.37) | SLC10A2ADRA1D | |
| SCHEMBL2351722 | 0.76 | MAOA (0.35) | MAOBADRA1D | |
| SCHEMBL2355061 | 0.75 | KDM1A (0.38) | KDM1AADRA1DABCC9ABCC8KCNJ11 | |
| SCHEMBL2355724 | 0.75 | — | — | |
| SCHEMBL2355899 | 0.75 | KDM1A (0.35) | KDM1AADRA1DABCC9ABCC8KCNJ11 | |
| SCHEMBL2355362 | 0.74 | — | — |
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 1 patent. 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 | disclosed |