Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9607169 | 0.89 | IDO1 (0.39) | CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL9607171 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TDP1GAAKMT2A | |
| SCHEMBL9607464 | 0.77 | CNR2 (0.32) | CNR2 | |
| SCHEMBL9607342 | 0.77 | CNR2 (0.32) | CNR2 | |
| SCHEMBL9607484 | 0.75 | CNR2 (0.34) | CNR2 | |
| SCHEMBL27185985 | 0.68 | ALDH1A1 (0.65) | CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL30839752 | 0.68 | ALDH1A1 (0.65) | CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL30839712 | 0.68 | ALDH1A1 (0.65) | CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL19002042 | 0.67 | CYP3A4 (0.40) | CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL23580463 | 0.66 | CNR2 (0.34) | ALDH1A1SMN1; SMN2CNR2KDM4EPOLB |
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 |