Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | DPP4 | P27487 | 6/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 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 | |
|---|---|---|---|---|
| SCHEMBL2894836 | 0.86 | DPP4 (0.52) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL3911313 | 0.82 | DPP4 (0.55) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL27616276 | 0.80 | DPP4 (0.56) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL4238855 | 0.78 | DPP4 (0.46) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL15858005 | 0.76 | ALDH1A1 (0.53) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL4158417 | 0.76 | DPP4 (0.49) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL3906693 | 0.75 | DPP4 (0.56) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL17897294 | 0.75 | RAB9A (0.49) | TP53DPP4MCHR1RAB9AHTT | |
| SCHEMBL2899646 | 0.73 | PKM (0.39) | TP53CSNK1DCSNK1EHDAC1CYP3A4 | |
| SCHEMBL11640756 | 0.72 | CACNA1G (0.46) | DPP4HTTHDAC1CYP3A4FAAH |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1929737-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2007-03-14 | — | — | CN | disclosed |