Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13306080 | 0.88 | TDP1 (0.53) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL27074031 | 0.84 | HSP90AA1 (0.64) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL9304604 | 0.83 | CHEK2 (0.54) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL6113137 | 0.82 | HSP90AA1 (0.76) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL29924530 | 0.82 | TDP1 (1.00) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL1758956 | 0.82 | TDP1 (1.00) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL4243540 | 0.81 | HSP90AA1 (0.69) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL7428472 | 0.81 | HSP90AA1 (0.73) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7331913 | 0.81 | TDP1 (0.97) | HSP90AA1ESR2TDP1POLBALDH1A1 | |
| SCHEMBL14336559 | 0.81 | ALDH1A1 (0.54) | HSP90AA1ESR2TDP1ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024019541-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | 일동제약(주) | 2024-01-25 | — | — | WO | disclosed |
| EP-1888579-B1 | NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF | AVENTIS PHARMA SA (FR) | 2011-08-03 | — | — | EP | disclosed |