Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | IL6 | P05231 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922255 | 0.86 | THRA (0.38) | THRATHRBPDK2KDM4EALDH1A1 | |
| SCHEMBL8257891 | 0.75 | MAOA (0.39) | THRATHRBKDM4EALDH1A1 | |
| SCHEMBL10352711 | 0.74 | FFAR4 (0.43) | THRATHRBALDH1A1 | |
| SCHEMBL10104423 | 0.73 | CRHR1 (0.37) | BRAFSMN1; SMN2 | |
| SCHEMBL12875595 | 0.73 | EPHX2 (0.46) | THRATHRB | |
| SCHEMBL1407867 | 0.72 | GAA (0.47) | BRAFKDM4EALDH1A1HRH3 | |
| SCHEMBL13812978 | 0.71 | GLA (0.43) | BRAF | |
| SCHEMBL6718732 | 0.71 | THRA (0.48) | THRATHRBPDK2KDM4EALDH1A1 | |
| SCHEMBL25919977 | 0.71 | THRA (0.40) | THRATHRBPDK2KDM4EALDH1A1 | |
| SCHEMBL14430363 | 0.70 | THRA (0.50) | THRATHRBKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |