Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27721374 | 0.80 | ALDH1A1 (0.46) | ALDH1A1GAAESR1ESR2NPC1 | |
| SCHEMBL9539465 | 0.78 | ESR1 (0.45) | ALDH1A1GAAESR1ESR2NPC1 | |
| SCHEMBL30353807 | 0.77 | LMNA (0.50) | ALDH1A1GAAESR1ESR2HPGD | |
| SCHEMBL5334254 | 0.77 | LMNA (0.50) | ALDH1A1GAAESR1ESR2HPGD | |
| SCHEMBL24800775 | 0.76 | ESR1 (0.44) | ALDH1A1GAAESR1ESR2NPC1 | |
| SCHEMBL9539597 | 0.76 | ESR1 (0.44) | ALDH1A1GAAESR1ESR2NPC1 | |
| SCHEMBL8309467 | 0.76 | GAA (0.35) | ALDH1A1GAAKMT2A | |
| SCHEMBL7135408 | 0.73 | ESR1 (0.47) | ALDH1A1GAAESR1ESR2SMN1; SMN2 | |
| SCHEMBL16959719 | 0.73 | ESR1 (0.47) | ALDH1A1GAAESR1ESR2SMN1; SMN2 | |
| SCHEMBL9539463 | 0.72 | ESR1 (0.51) | ALDH1A1GAAESR1ESR2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1037436-C | New herbicides | RHONE POULENC AGRICULTURE (GB) | 1998-02-18 | — | — | CN | disclosed |
| CN-1082539-A | New herbicides | RHONE POULENC AGRICULTURE (GB) | 1994-02-23 | — | — | CN | disclosed |