Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.35 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7000138 | 0.97 | ESR1 (0.36) | ESR1BAZ2BBAZ2AGPR35L3MBTL1 | |
| SCHEMBL7003687 | 0.91 | ESR1 (0.37) | ESR1BAZ2BBAZ2AGPR35POLB | |
| SCHEMBL7006166 | 0.87 | ESR1 (0.38) | ESR1BAZ2BBAZ2AALDH1A1POLB | |
| SCHEMBL7010259 | 0.87 | ESR1 (0.39) | ESR1BAZ2BBAZ2AGPR35ALDH1A1 | |
| SCHEMBL7592050 | 0.85 | THRA (0.36) | TP53TSHR | |
| SCHEMBL7006924 | 0.85 | CRHBP (0.44) | ESR1ALDH1A1SMN1; SMN2KDM4ETSHR | |
| SCHEMBL7004554 | 0.83 | BAZ2B (0.39) | ESR1BAZ2BBAZ2AGPR35ALDH1A1 | |
| SCHEMBL7003285 | 0.81 | ESR1 (0.38) | ESR1BAZ2BBAZ2AALDH1A1MAPT | |
| SCHEMBL7555501 | 0.80 | GPR35 (0.36) | BAZ2BBAZ2AGPR35ALDH1A1POLB | |
| SCHEMBL7006211 | 0.80 | THRA (0.32) | ESR1POLB |
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 |