Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL10945542 | 0.84 | LCK (0.32) | TSHRCYP1A2MAPK1DPP4 | |
| SCHEMBL151243 | 0.84 | TSHR (0.42) | TSHRCYP1A2MAPK1 | |
| SCHEMBL3693736 | 0.73 | CYP2C19 (0.47) | CYP1A2 | |
| SCHEMBL2577987 | 0.69 | TSHR (0.47) | TSHRDPP4 | |
| SCHEMBL9150662 | 0.69 | TSHR (0.47) | TSHRDPP4 | |
| SCHEMBL11675330 | 0.69 | FDPS (0.34) | TSHR | |
| SCHEMBL11047381 | 0.67 | MAPT (0.33) | TSHRDPP4 | |
| SCHEMBL109553 | 0.67 | — | — | |
| Water SCHEMBL11043959 | 0.67 | TSHR (0.44) | TSHRDPP4 | |
| SCHEMBL10897289 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2207872-A1 | NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION | EKC Technology, INC. (US) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009058277-A1 | NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION | EKC TECHNOLOGY, INC. (US) | 2009-05-07 | — | — | WO | disclosed |