Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9200672 | 0.88 | CYP4F2 (0.39) | CYP2D6PDK1ALDH1A1PDK2PDK4 | |
| SCHEMBL9203046 | 0.87 | CYP4F2 (0.38) | CYP2D6PDK1ALDH1A1PDK2PDK4 | |
| SCHEMBL9206870 | 0.86 | PTGS2 (0.38) | PDK1ALDH1A1PDK2PDK4HPGD | |
| SCHEMBL9206588 | 0.86 | CYP11B1 (0.34) | CYP2D6PDK1ALDH1A1PDK2PDK4 | |
| SCHEMBL9198641 | 0.85 | NR1H4 (0.36) | CYP2D6PDK1ALDH1A1PDK2PDK4 | |
| SCHEMBL9202975 | 0.84 | CYP2D6 (0.39) | CYP2D6ALDH1A1HPGDSMN1; SMN2ALOX5 | |
| SCHEMBL9206423 | 0.83 | HSD17B2 (0.38) | CYP2D6ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL9204169 | 0.81 | ALDH1A1 (0.41) | CYP2D6PDK1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL9286479 | 0.80 | ACHE (0.39) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9208251 | 0.74 | PRSS1 (0.33) | ALDH1A1HPGDSMN1; SMN2MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0634927-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1995-01-25 | — | — | EP | disclosed |
| WO-1993017671-A1 | TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA | STATENS SERUMINSTITUT (DK) | 1993-09-16 | — | — | WO | disclosed |