Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | LIG1 | P18858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10549629 | 0.81 | CA2 (0.67) | CA2POLBMEN1KMT2ALIG1 | |
| SCHEMBL11040315 | 0.81 | CA2 (0.67) | CA2KMT2ALIG1SMN1; SMN2TDP1 | |
| SCHEMBL9094584 | 0.81 | CA2 (0.67) | CA2POLBMEN1KMT2ACYP2C9 | |
| Pemoline Dione SCHEMBL7864463 | 0.80 | CA2 (1.00) | CA2POLBMEN1KMT2ADDB1 | |
| Pemoline Dione SCHEMBL11265294 | 0.78 | CA2 (0.96) | CA2POLBMEN1KMT2ADDB1 | |
| SCHEMBL17633648 | 0.76 | BRD4 (0.46) | CA2HAO1POLBMEN1KMT2A | |
| SCHEMBL17634194 | 0.76 | CA2 (0.40) | CA2HAO1POLBMEN1KMT2A | |
| SCHEMBL17634313 | 0.74 | CA2 (0.41) | CA2HAO1POLBMEN1KMT2A | |
| SCHEMBL10761058 | 0.72 | CA2 (0.59) | CA2CYP2C9CYP2C19GAA | |
| SCHEMBL11040411 | 0.72 | CA2 (0.64) | CA2PPARGPPARDPPARA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013130370-A2 | COMPOUNDS AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-09-06 | — | — | WO | disclosed |
| WO-2013130370-A2 | COMPOUNDS AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-09-06 | — | — | WO | disclosed |
| WO-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |