Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8693299 | 0.79 | AKT1 (0.46) | AKT1TSHRTDP1MAPTPOLB | |
| SCHEMBL9879633 | 0.77 | AKT1 (0.45) | AKT1TSHRTDP1MAPTHSD17B10 | |
| SCHEMBL4555825 | 0.74 | CYP3A4 (0.48) | AKT1TSHRTDP1MAPTCYP3A4 | |
| SCHEMBL10338446 | 0.71 | AKT1 (0.39) | AKT1TDP1MAPTCYP3A4HSD17B10 | |
| Acrylic Acid SCHEMBL11292486 | 0.71 | AKT1 (0.54) | AKT1TSHRTDP1MAPTRECQL | |
| SCHEMBL2185852 | 0.71 | AKT1 (0.59) | AKT1TSHRTDP1MAPTRECQL | |
| SCHEMBL23328518 | 0.69 | AKT1 (0.56) | AKT1TSHRTDP1MAPTRECQL | |
| SCHEMBL630088 | 0.69 | AKT1 (0.56) | AKT1TSHRTDP1MAPTRECQL | |
| SCHEMBL84200 | 0.69 | AKT1 (0.56) | AKT1TSHRTDP1MAPTRECQL | |
| SCHEMBL313871 | 0.69 | AKT1 (0.56) | AKT1TSHRTDP1MAPTRECQL |
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-2001081372-A2 | VANCOMYCIN ANALOGS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2001-11-01 | — | — | WO | disclosed |