Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29420524 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP3A4CYP2C9ACHE | |
| SCHEMBL288844 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP3A4CYP2C9ACHE | |
| SCHEMBL8599942 | 0.83 | KMT2A (0.46) | CYP1A2CYP3A4KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL8600231 | 0.83 | FGFR1 (0.40) | CYP1A2CYP2C19CYP3A4CYP2C9KDM4E | |
| SCHEMBL859440 | 0.81 | MAPT (0.57) | CYP1A2CYP2C19CYP3A4CYP2C9ACHE | |
| SCHEMBL8599049 | 0.80 | FGFR1 (0.42) | KDM4EL3MBTL1 | |
| SCHEMBL8601685 | 0.80 | ALPL (0.42) | CYP1A2CYP2C19CYP3A4CYP2C9KDM4E | |
| SCHEMBL5033285 | 0.80 | NCF1 (0.51) | CYP1A2CYP2C19CYP3A4CYP2C9ACHE | |
| SCHEMBL28095943 | 0.80 | GRM2 (0.34) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL5792917 | 0.79 | KDM4E (0.53) | CYP1A2CYP2C19CYP3A4CYP2C9KDM4E |
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 |