Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.31 |
| ▸ | GAK | O14976 | 2/20 | 0.31 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19712467 | 0.91 | ALDH1A1 (0.30) | ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL19712471 | 0.90 | CHRM3 (0.33) | — | |
| SCHEMBL19712470 | 0.89 | PIK3CA (0.34) | PIK3CA | |
| SCHEMBL1289914 | 0.88 | PIK3CA (0.36) | PIK3CAALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL19712500 | 0.88 | PIK3CA (0.31) | PIK3CA | |
| SCHEMBL19712496 | 0.87 | PRMT5 (0.32) | — | |
| SCHEMBL19712472 | 0.87 | BRD4 (0.35) | PIK3CA | |
| SCHEMBL1290171 | 0.85 | PIK3CA (0.35) | PIK3CAALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL19712468 | 0.85 | MAOA (0.34) | PIK3CAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL19712469 | 0.85 | ALOX5AP (0.37) | PIK3CACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2670410-B1 | ANTIMICROBIAL 4-OXOQUINOLIZINES | EMERGENT PRODUCT DEV GAITHERSBURG INC (US) | 2017-12-20 | — | — | EP | claimed |