Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.72 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.72 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.68 |
| ▸ | DPP4 | P27487 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.54 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.54 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9113143 | 0.95 | TNFRSF1A (0.68) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL9113779 | 0.94 | CYP1A1 (0.70) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL7184299 | 0.91 | ABCG2 (0.67) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL9111707 | 0.91 | CYP1A1 (0.67) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL7191470 | 0.90 | ABCG2 (0.67) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL9113474 | 0.90 | CYP1A1 (0.66) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL9114708 | 0.90 | TNFRSF1A (0.76) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL9115776 | 0.90 | TNFRSF1A (0.76) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL7185327 | 0.89 | CYP1A1 (0.65) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT | |
| SCHEMBL9114554 | 0.88 | CYP1A1 (0.61) | CYP1A1CYP1B1TNFRSF1ADPP4MAPT |
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-1995006628-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1995-03-09 | — | — | WO | claimed |
| WO-1995006628-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1995-03-09 | — | — | WO | disclosed |