Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7006171 | 0.88 | ESR1 (0.34) | ALDH1A1L3MBTL1THRATHRBHPGD | |
| SCHEMBL7559797 | 0.84 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1HPGDKDM4EHSD17B10 | |
| SCHEMBL7001088 | 0.82 | NPC1 (0.36) | ALDH1A1L3MBTL1HPGDHDAC3HDAC1 | |
| SCHEMBL7002285 | 0.78 | MCL1 (0.38) | THRATHRBFFAR4 | |
| SCHEMBL7006166 | 0.76 | ESR1 (0.38) | ALDH1A1L3MBTL1THRATHRBHPGD | |
| SCHEMBL7004077 | 0.74 | SLC6A5 (0.38) | ALDH1A1KDM4EMAPT | |
| SCHEMBL7002721 | 0.74 | JMJD6 (0.33) | ALDH1A1L3MBTL1HPGDADORA3MAPT | |
| SCHEMBL7005350 | 0.74 | SLC6A5 (0.38) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL7555960 | 0.74 | TDP1 (0.38) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL7007295 | 0.72 | PTPN11 (0.37) | ALDH1A1HPGDKDM4EHSD17B10NPSR1 |
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 |