Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAT2A | P31153 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8534905 | 0.88 | CTSV (0.47) | ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2 | |
| SCHEMBL8538579 | 0.84 | MAT2A (0.61) | MAT2AADORA2AADORA2BADORA1CHRM5 | |
| SCHEMBL8533234 | 0.75 | MAT2A (0.49) | MAT2AADORA2AADORA2BADORA1CHRM5 | |
| SCHEMBL8653277 | 0.75 | MAT2A (0.49) | MAT2AADORA2AADORA2BADORA1CHRM5 | |
| SCHEMBL9607232 | 0.74 | ABL1 (0.42) | ALDH1A1HPGDKDM4ESMN1; SMN2ADORA2A | |
| SCHEMBL8536122 | 0.73 | CTSV (0.60) | ALDH1A1KMT2AHPGDKDM4ERAB9A | |
| SCHEMBL8513871 | 0.72 | MAT2A (0.46) | MAT2AADORA2AADORA2BADORA1CHRM5 | |
| SCHEMBL18097397 | 0.72 | PDE2A (0.47) | CHRM5KLKB1 | |
| SCHEMBL8537370 | 0.72 | MAT2A (0.43) | MEN1KMT2AMAT2AADORA2AADORA2B | |
| SCHEMBL8536502 | 0.72 | MAT2A (0.43) | ALDH1A1MEN1KMT2AMAT2AADORA2A |
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 3 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 | claimed |
| 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 |