Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | DPP4 | P27487 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 6/20 | 0.49 |
| ▸ | ACHE | P22303 | 5/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9113089 | 0.98 | ABCG2 (0.58) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9115765 | 0.96 | MAPT (0.60) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9111969 | 0.96 | ABCG2 (0.58) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9111974 | 0.96 | ABCG2 (0.58) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9114950 | 0.95 | ABCG2 (0.54) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9114410 | 0.93 | KDM4E (0.60) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9114608 | 0.93 | KRAS (0.57) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9113793 | 0.91 | MAPT (0.60) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9111644 | 0.91 | ABCG2 (0.60) | ABCG2CYP1A1CYP1B1KDM4ELMNA | |
| SCHEMBL9241047 | 0.91 | ABCG2 (0.55) | ABCG2CYP1A1CYP1B1KDM4ELMNA |
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-1995006628-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1995-03-09 | — | — | WO | claimed |