Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 1/20 | 0.57 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29433310 | 0.98 | ALDH1A1 (0.61) | ALDH1A1POLBCES2CES1MGLL | |
| SCHEMBL22658456 | 0.98 | ALDH1A1 (0.61) | ALDH1A1POLBCES2CES1MGLL | |
| Bicarbonate SCHEMBL6614524 | 0.97 | ALDH1A1 (0.60) | ALDH1A1POLBCES2CES1MGLL | |
| SCHEMBL29408246 | 0.95 | CES2 (0.60) | ALDH1A1POLBCES2CES1MGLL | |
| SCHEMBL22658096 | 0.95 | CES2 (0.60) | ALDH1A1POLBCES2CES1MGLL | |
| SCHEMBL6175481 | 0.92 | CES2 (0.64) | ALDH1A1POLBCES2CES1MGLL | |
| SCHEMBL29433469 | 0.92 | CES2 (0.64) | ALDH1A1POLBCES2CES1MGLL | |
| Bicarbonate SCHEMBL11470070 | 0.88 | TP53 (0.61) | ALDH1A1POLBCES2CES1MGLL | |
| SCHEMBL5215671 | 0.87 | CES2 (0.57) | ALDH1A1POLBCES2CES1MGLL | |
| Hydrochloric Acid SCHEMBL5210218 | 0.85 | CES2 (0.55) | ALDH1A1POLBCES2CES1MGLL |
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 |
|---|---|---|---|---|---|---|---|
| US-6329405-B1 | AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA | SANKYO COMPANY, LIMITED (JP) | 2001-12-11 | — | — | US | disclosed |
| EP-1070703-A1 | Cyclobutene derivatives | Sankyo Company Limited (JP) | 2001-01-24 | — | — | EP | disclosed |