Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ARG2 | P78540 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL6407519 | 0.83 | MAOB (0.46) | ALDH1A1MAOBCES2CES1AKR1B1 | |
| SCHEMBL29101742 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAOBLMNACES2CES1 | |
| SCHEMBL10792863 | 0.80 | IDO1 (0.44) | ALDH1A1MAOBLMNACES2CES1 | |
| SCHEMBL3244969 | 0.77 | ALDH1A1 (0.48) | ALDH1A1MAOBLMNACES2CES1 | |
| SCHEMBL23253782 | 0.76 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL19433080 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAOBLMNACES2CES1 | |
| SCHEMBL18840201 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAOBLMNACES2CES1 | |
| Phenylacetaldehyde SCHEMBL20263675 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAOBLMNACES2CES1 | |
| SCHEMBL12346154 | 0.73 | MAOB (0.44) | ALDH1A1MAOBLMNACYP2C9CA1 | |
| SCHEMBL1060278 | 0.72 | MAOB (0.59) | ALDH1A1MAOBCES2CES1AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1448575-A1 | LIGANDS FOR USE IN CATALYTIC PROCESSES | Eidgenössische Technische Hochschule (ETH) Zürich (CH) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003048175-A1 | LIGANDS FOR USE IN CATALYTIC PROCESSES | EIDGENÖSSISCHE TECHNISCHE HOCHSCHULE ZÜRICH ETHZ (CH) | 2003-06-12 | — | — | WO | disclosed |