Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9701481 | 0.87 | ALDH1A1 (0.53) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL11440349 | 0.86 | ALDH1A1 (0.56) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL11835883 | 0.86 | CYP19A1 (0.61) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL28726809 | 0.85 | ALDH1A1 (0.55) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL7819868 | 0.85 | TSHR (0.55) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL29739648 | 0.85 | TSHR (0.55) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL27901551 | 0.84 | ALDH1A1 (0.50) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL3295088 | 0.83 | HTT (0.67) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 | |
| SCHEMBL11728148 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TDP1TSHRCYP3A4HTT | |
| SCHEMBL6016538 | 0.82 | TSHR (0.47) | CYP19A1ALDH1A1TDP1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678311-A | Arylcarbonyl derivatives useful as therapeutic agents | NOVO NORDISK AS (DK) | 2005-10-05 | — | — | CN | disclosed |
| US-5134144-A | Insecticides, miticides or nematocides | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1992-07-28 | — | — | US | disclosed |
| WO-1991007393-A1 | PESTICIDAL 3-ARYLURACIL ETHERS AND THIOETHERS | UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) | 1991-05-30 | — | — | WO | disclosed |