Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7559797 | 0.88 | ALDH1A1 (0.38) | PTPN11CRHBPCRHR2ALDH1A1GAA | |
| SCHEMBL7003154 | 0.86 | PTPN11 (0.37) | PTPN11ALDH1A1GAAMAPTBCL2L1 | |
| SCHEMBL7006666 | 0.84 | PTPN11 (0.35) | PTPN11ALDH1A1GAAMAPTBCL2L1 | |
| SCHEMBL7007699 | 0.83 | CRHBP (0.39) | PTPN11CRHBPCRHR2ALDH1A1GAA | |
| SCHEMBL7560338 | 0.80 | CRHBP (0.43) | CRHBPCRHR2ALDH1A1GAAMAPT | |
| SCHEMBL7556806 | 0.75 | BAZ2B (0.38) | PTPN11CRHBPCRHR2ALDH1A1GAA | |
| SCHEMBL7006171 | 0.73 | ESR1 (0.34) | ALDH1A1GAAHPGDHSD17B10NPSR1 | |
| SCHEMBL7002285 | 0.73 | MCL1 (0.38) | PTPN11 | |
| SCHEMBL7564220 | 0.73 | MAPT (0.38) | CRHBPCRHR2ALDH1A1GAAMAPT | |
| SCHEMBL7561375 | 0.73 | TDP1 (0.42) | CRHBPCRHR2ALDH1A1GAAMAPT |
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-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002062764-A9 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |