Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965801 | 0.82 | TSHR (0.44) | TSHRCYP2D6CYP2C19HSD17B10LMNA | |
| SCHEMBL14966184 | 0.80 | CYP1A2 (0.39) | TSHRCYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL14965583 | 0.78 | TSHR (0.42) | TSHRCYP1A2CYP2D6CYP2C19HSD17B10 | |
| SCHEMBL14965600 | 0.78 | MAPT (0.48) | TSHRCYP1A2SMN1; SMN2KDM4EMAPT | |
| SCHEMBL14965745 | 0.77 | CHRNB2 (0.42) | TSHRHSD17B10ALDH1A1SMN1; SMN2PDCD1 | |
| SCHEMBL27383371 | 0.76 | — | — | |
| SCHEMBL1671907 | 0.76 | — | — | |
| SCHEMBL14965536 | 0.76 | GBA1 (0.32) | — | |
| SCHEMBL6347925 | 0.75 | TAAR1 (0.43) | TSHRTAAR1PYCR1BACE1IDO1 | |
| SCHEMBL30271106 | 0.75 | TAAR1 (0.43) | TSHRTAAR1PYCR1BACE1IDO1 |
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-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |