Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6576430 | 0.83 | ALDH1A1 (0.58) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL5138405 | 0.77 | NAAA (0.56) | ALDH1A1ATMTSHRNPSR1HCAR2 | |
| SCHEMBL1126448 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDRAB9A | |
| SCHEMBL28776436 | 0.75 | — | — | |
| SCHEMBL8057564 | 0.75 | — | — | |
| SCHEMBL158105 | 0.74 | ALDH1A1 (0.58) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL843522 | 0.74 | ALDH1A1 (0.58) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL5929419 | 0.74 | ALDH1A1 (0.78) | ALDH1A1ATMTSHRHPGDRAB9A | |
| SCHEMBL7401518 | 0.74 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRHPGDRAB9A | |
| SCHEMBL9121967 | 0.73 | — | — |
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-1999048911-A1 | MONOBACTAM ENZYME INHIBITORS | NAEJA PHARMACEUTICAL INC. (GB) | 1999-09-30 | — | — | WO | disclosed |