Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 5/20 | 0.55 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.55 |
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8534390 | 0.77 | KLKB1 (0.55) | CACNA1HCACNA1GCACNA1IALDH1A1TSHR | |
| SCHEMBL17316720 | 0.74 | CACNA1G (0.52) | CACNA1HCACNA1GCACNA1IALDH1A1TSHR | |
| SCHEMBL8641487 | 0.74 | CACNA1H (0.52) | CACNA1HCACNA1GCACNA1IALDH1A1TSHR | |
| SCHEMBL24310644 | 0.72 | HDAC1 (0.45) | CACNA1HCACNA1GCACNA1IALDH1A1TSHR | |
| SCHEMBL1906943 | 0.72 | KMT2A (0.60) | CACNA1HCACNA1GCACNA1IALDH1A1KMT2A | |
| SCHEMBL17316771 | 0.72 | CACNA1G (0.50) | CACNA1HCACNA1GCACNA1IALDH1A1TSHR | |
| SCHEMBL31598793 | 0.72 | CACNA1G (0.50) | CACNA1HCACNA1GCACNA1I | |
| SCHEMBL19902346 | 0.72 | ALDH1A1 (0.40) | ALDH1A1TSHRKMT2ACYP1A2CYP2D6 | |
| SCHEMBL17316589 | 0.72 | CACNA1I (1.00) | CACNA1HCACNA1GCACNA1I | |
| SCHEMBL28111821 | 0.71 | ALDH1A1 (0.54) | ALDH1A1TSHRKMT2ACYP1A2CYP2D6 |
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-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |