Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.45 |
| ▸ | PGR | P06401 | 6/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | CBX7 | O95931 | 1/20 | 0.34 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.34 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.34 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539722 | 0.84 | AKR1B1 (0.50) | AKR1B1PGRIDO1MAPTBRD4 | |
| SCHEMBL9539047 | 0.81 | AKR1B1 (0.48) | AKR1B1PGRIDO1MAPTBRD4 | |
| SCHEMBL9541565 | 0.75 | AKR1B1 (0.51) | AKR1B1IDO1MAPTBRD4MEN1 | |
| SCHEMBL9539767 | 0.74 | AKR1B1 (0.48) | AKR1B1PGRIDO1MAPTBRD4 | |
| SCHEMBL4594261 | 0.73 | AKR1B1 (0.43) | AKR1B1PGRIDO1MAPTMGAM | |
| SCHEMBL11884053 | 0.72 | AKR1B1 (0.46) | AKR1B1PGRIDO1MAPTBRD4 | |
| SCHEMBL9539770 | 0.72 | CYP2C19 (0.43) | PGRMAPTPTGDR2 | |
| SCHEMBL9539014 | 0.72 | AKR1B1 (0.40) | AKR1B1PGRIDO1MAPTMGAM | |
| SCHEMBL9539996 | 0.72 | AKR1B1 (0.48) | AKR1B1PGRIDO1MAPTBRD4 | |
| SCHEMBL9539805 | 0.70 | PGR (0.41) | AKR1B1PGRMAPTHTR7MEN1 |
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-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |