Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990621 | 0.94 | TSHR (0.49) | TSHRDAOSLC6A4SLC6A3GPR84 | |
| SCHEMBL8990856 | 0.94 | TSHR (0.49) | TSHRDAOSLC6A4SLC6A3GPR84 | |
| SCHEMBL155707 | 0.94 | TSHR (0.58) | TSHRSLC6A4SLC6A3ALDH1A1LMNA | |
| Ammonia Solution, Strong SCHEMBL25380785 | 0.91 | TSHR (0.56) | TSHRSLC6A4SLC6A3ALDH1A1LMNA | |
| SCHEMBL9060027 | 0.90 | TSHR (0.51) | TSHRDAOSLC6A4SLC6A3GPR84 | |
| SCHEMBL7729682 | 0.89 | TSHR (0.45) | TSHRDAOSLC6A4SLC6A3GPR84 | |
| SCHEMBL1687455 | 0.88 | TSHR (0.53) | TSHRDAOSLC6A4SLC6A3GPR84 | |
| SCHEMBL9425434 | 0.88 | TSHR (0.53) | TSHRSLC6A4ALDH1A1LMNABCHE | |
| SCHEMBL2056279 | 0.88 | TSHR (0.53) | TSHRSLC6A4ALDH1A1LMNABCHE | |
| SCHEMBL2056132 | 0.88 | TSHR (0.53) | TSHRSLC6A4SLC6A3ALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5324449-A | Substituted phenyl trifluoromethyl ethers | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-28 | — | — | US | disclosed |
| EP-0334911-B1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |
| EP-0334911-A1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1989-10-04 | — | — | EP | disclosed |