Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8680647 | 0.88 | ATM (0.46) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL10852869 | 0.88 | ATM (0.46) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL9302331 | 0.88 | ATM (0.46) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL29008112 | 0.87 | ATM (0.45) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL11071386 | 0.85 | TSHR (0.43) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL11606839 | 0.85 | TSHR (0.43) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| Potassium Ion SCHEMBL4825140 | 0.85 | TSHR (0.43) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL11843138 | 0.85 | TSHR (0.43) | TSHRKMT2AATMCYP3A4CYP2C9 | |
| SCHEMBL8302401 | 0.83 | GPR88 (0.40) | TSHRGPR88KMT2ACNR1TACR3 | |
| SCHEMBL8302507 | 0.80 | CNR2 (0.44) | TSHRGPR88KMT2ACNR1ATM |
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-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |