Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1061320 | 0.98 | TSHR (0.46) | TSHRMAOBBCHELMNACYP1A2 | |
| SCHEMBL3660167 | 0.95 | TSHR (0.48) | TSHRMAOBBCHELMNACYP1A2 | |
| SCHEMBL6469379 | 0.91 | TSHR (0.52) | TSHRMAOBBCHELMNACYP1A2 | |
| SCHEMBL17597872 | 0.77 | FFAR1 (0.51) | BCHETDP1 | |
| SCHEMBL11154487 | 0.74 | L3MBTL1 (0.47) | TSHRMAOBBCHELMNACYP1A2 | |
| SCHEMBL6433409 | 0.74 | HTT (0.44) | TSHRMAOBBCHELMNACYP1A2 | |
| Benzylphenylether SCHEMBL28158791 | 0.72 | MAPT (0.55) | MAOBBCHELMNACYP1A2PTGS1 | |
| SCHEMBL10609652 | 0.71 | LMNA (0.75) | MAOBBCHELMNACYP1A2PTGS1 | |
| SCHEMBL6210880 | 0.71 | LMNA (0.55) | MAOBBCHELMNACYP1A2PTGS1 | |
| SCHEMBL30299191 | 0.71 | HRH3 (0.72) | MAOBHRH3MAPTMAOAL3MBTL1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7696181-B2 | Partial and full agonists of A1 adenosine receptors | CV THERAPEUTICS, INC. (US) | 2010-04-13 | — | — | US | claimed |
| EP-3172211-A1 | COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-05-31 | — | — | EP | disclosed |
| WO-2016011930-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |
| CN-102105451-B | Glucokinase activators | TAKEDA SAN DIEGO INC | 2013-11-13 | — | — | CN | disclosed |
| JP-2008019351-A | METHOD FOR SEPARATING OPTICALLY ACTIVE N-SUBSTITUTED HOMOPHENYLALANINE | TOSOH CORP | 2008-01-31 | — | — | JP | disclosed |