Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3966026 | 1.00 | SIGMAR1 (0.53) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3966029 | 0.83 | CYP2C19 (0.54) | POLBCYP1A2CYP2D6CYP2C19MAPK1 | |
| SCHEMBL17925943 | 0.80 | SIGMAR1 (0.57) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2472408 | 0.80 | SIGMAR1 (0.57) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL214408 | 0.79 | SIGMAR1 (0.61) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL29286857 | 0.78 | SIGMAR1 (0.59) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 | |
| Bromide SCHEMBL11864027 | 0.78 | SIGMAR1 (0.59) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3661622 | 0.78 | ALDH1A1 (0.58) | ALDH1A1IDO1KMT2AMEN1 | |
| SCHEMBL4249926 | 0.77 | CASR (0.52) | ALDH1A1LMNAHTTIDO1KMT2A | |
| SCHEMBL29276550 | 0.77 | SIGMAR1 (0.53) | SIGMAR1POLBCYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2166847-A1 | CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES | Merck Sharp & Dohme Corp. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008156718-A1 | CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES | MERCK & CO., INC. (US) | 2008-12-24 | — | — | WO | disclosed |