Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2890924 | 0.85 | KCNH2 (0.45) | TP53POLBMEN1KMT2AKCNH2 | |
| SCHEMBL2894836 | 0.83 | DPP4 (0.52) | DPP4MCHR1TP53POLBMEN1 | |
| SCHEMBL4238855 | 0.76 | DPP4 (0.46) | DPP4MCHR1TP53POLBPRKAB2 | |
| SCHEMBL27685281 | 0.72 | TP53 (0.62) | DPP4MCHR1TP53POLBPRKAB2 | |
| SCHEMBL3911313 | 0.71 | DPP4 (0.55) | DPP4MCHR1TP53POLBRAB9A | |
| SCHEMBL3902833 | 0.70 | GRM2 (0.47) | TP53POLBMEN1KMT2AKCNH2 | |
| SCHEMBL4161790 | 0.70 | MEN1 (0.44) | TP53POLBMEN1KMT2AKCNH2 | |
| SCHEMBL2898763 | 0.70 | TP53 (0.48) | TP53POLBMEN1KMT2AKCNH2 | |
| SCHEMBL4748622 | 0.70 | POLB (0.42) | MCHR1TP53POLBMEN1KMT2A | |
| SCHEMBL27616276 | 0.69 | DPP4 (0.56) | DPP4MCHR1TP53POLBRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | disclosed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | disclosed |