Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2920494 | 0.84 | CHEK1 (0.40) | ALDH1A1LMNACHEK1CYP3A4TDP1 | |
| SCHEMBL11807403 | 0.83 | KDM4E (0.46) | ALDH1A1LMNACHEK1CXCR3SIGMAR1 | |
| SCHEMBL11811379 | 0.83 | KMT2A (0.47) | ALDH1A1LMNACHEK1SIGMAR1 | |
| SCHEMBL16365587 | 0.81 | CHEK1 (0.41) | LMNACHEK1CA2NCF1CHKA | |
| SCHEMBL11119636 | 0.81 | CHEK1 (0.44) | ALDH1A1CHEK1CYP3A4TSHR | |
| SCHEMBL11814837 | 0.81 | GAA (0.44) | LMNACHEK1CYP3A4TSHRSIGMAR1 | |
| SCHEMBL11813133 | 0.79 | SIGMAR1 (0.47) | ALDH1A1SIGMAR1CHKA | |
| SCHEMBL12157029 | 0.77 | CHEK1 (0.39) | ALDH1A1LMNACHEK1CA2 | |
| SCHEMBL16367847 | 0.77 | LPL (0.44) | CHEK1TSHRCA2 | |
| SCHEMBL11366893 | 0.75 | ALDH1A1 (0.38) | ALDH1A1LMNACXCR3SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000011022-A1 | ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO | STEWART JOHN M (US) | 2000-03-02 | — | — | WO | disclosed |