Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922305 | 0.86 | THRA (0.45) | THRATHRBPDK2KDM4ECACNA1B | |
| SCHEMBL8257891 | 0.72 | MAOA (0.39) | THRATHRBHSD11B1KDM4ECYP1A2 | |
| SCHEMBL10352711 | 0.71 | FFAR4 (0.43) | THRATHRBHSD11B1CYP1A2HSD17B10 | |
| SCHEMBL12875595 | 0.70 | EPHX2 (0.46) | THRATHRBHSD11B1L3MBTL1AR | |
| SCHEMBL25919977 | 0.69 | THRA (0.40) | THRATHRBPDK2KDM4ECYP2C19 | |
| SCHEMBL13812978 | 0.69 | GLA (0.43) | CYP3A4TSHRCNR1CNR2AR | |
| SCHEMBL14430363 | 0.68 | THRA (0.50) | THRATHRBKDM4ECYP1A2ALDH1A1 | |
| SCHEMBL5836359 | 0.68 | HTR1B (0.64) | KDM4EL3MBTL1ALDH1A1LMNA | |
| SCHEMBL14431365 | 0.67 | PDK2 (0.47) | PDK2KDM4EL3MBTL1ALDH1A1LMNA | |
| SCHEMBL12449312 | 0.66 | MAOA (0.36) | KDM4ECYP1A2CYP2C19TDP1 |
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 |