Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.30 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MPI | P34949 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2013474 | 0.96 | GPR6 (0.32) | GPR6NPSR1MEN1KMT2ANPC1 | |
| SCHEMBL2015211 | 0.93 | AXL (0.32) | ATRNPSR1KMT2AHTTRAB9A | |
| Trifluoroacetic Acid SCHEMBL2013515 | 0.90 | SLC40A1 (0.36) | NPSR1KMT2AHTTRAB9AMAPT | |
| SCHEMBL2012932 | 0.89 | ABCC1 (0.33) | NPSR1MEN1KMT2ANPC1HTT | |
| Trifluoroacetic Acid SCHEMBL2012687 | 0.87 | MAPT (0.33) | GPR6NPSR1KMT2AHTTRAB9A | |
| Trifluoroacetic Acid SCHEMBL2013265 | 0.87 | KHK (0.33) | SCN10A | |
| Trifluoroacetic Acid SCHEMBL2016492 | 0.85 | PIK3CD (0.40) | ATRNPSR1SCN10AMEN1KMT2A | |
| SCHEMBL2014980 | 0.84 | SLC40A1 (0.38) | NPSR1KMT2ANPC1HTTRAB9A | |
| SCHEMBL2014977 | 0.84 | SLC40A1 (0.38) | NPSR1KMT2ANPC1HTTRAB9A | |
| SCHEMBL2017050 | 0.83 | SLC40A1 (0.40) | NPSR1KMT2ANPC1HTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |