Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 6/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL14991900 | 0.72 | PARP1 (0.42) | PGRAKR1B1AKR1A1TGM2KMT2A | |
| SCHEMBL29657028 | 0.72 | PARP1 (0.42) | PGRAKR1B1AKR1A1TGM2KMT2A | |
| SCHEMBL8881506 | 0.72 | MOGAT2 (0.46) | PGRAKR1B1AKR1A1TGM2CYP1A2 | |
| SCHEMBL8111364 | 0.71 | RAD52 (0.39) | HTR5APGRAKR1B1ALDH1A1TGM2 | |
| SCHEMBL1972936 | 0.69 | PDK2 (0.55) | PGRAKR1B1AKR1A1CYP1A2MAPT | |
| SCHEMBL31158683 | 0.69 | AR (0.39) | HTR5APGRCYP1A2MAPTCYP2C19 | |
| SCHEMBL4720672 | 0.69 | AR (0.39) | HTR5APGRCYP1A2MAPTCYP2C19 | |
| SCHEMBL29622556 | 0.69 | PDK2 (0.55) | PGRAKR1B1AKR1A1CYP1A2MAPT | |
| SCHEMBL24019924 | 0.69 | KMT2A (0.40) | PGRAKR1B1AKR1A1TGM2CYP1A2 | |
| SCHEMBL23835757 | 0.69 | KMT2A (0.40) | PGRAKR1B1AKR1A1TGM2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019154053-A1 | IAP INHIBITOR AND USE OF SAME IN MEDICINE | 广东东阳光药业有限公司 | 2019-08-15 | — | — | WO | disclosed |