Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7437066 | 0.86 | KMT2A (0.51) | ALDH1A1ACACBMAPTPOLBNPC1 | |
| SCHEMBL7485958 | 0.85 | NPSR1 (0.54) | CYP1A2ACACBPLK1MAPTMEN1 | |
| SCHEMBL7442141 | 0.83 | NPC1 (0.49) | ALDH1A1CES2CES1MEN1NPC1 | |
| SCHEMBL7496442 | 0.83 | LMNA (0.40) | ALDH1A1CA1CA2CES2MAPT | |
| SCHEMBL7434063 | 0.83 | CES2 (0.43) | ALDH1A1CES2CES1MAPTKMT2A | |
| SCHEMBL7500101 | 0.82 | NPC1 (0.41) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL7430292 | 0.82 | CYP1A2 (0.49) | ALDH1A1CYP1A2CES2CES1ACACB | |
| SCHEMBL7495222 | 0.81 | ACACB (0.48) | ACACBMAPTMEN1KMT2A | |
| SCHEMBL7436814 | 0.81 | SMN1; SMN2 (0.47) | ALDH1A1ACACBMAPTNPC1RAB9A | |
| SCHEMBL7497110 | 0.79 | ALDH1A1 (0.46) | ALDH1A1ACACBPLK1MAPTPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4453003-A | ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS | UMEZAWA HAMAO (JP) | 1984-06-05 | — | — | US | disclosed |
| US-4391986-A | Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1983-07-05 | — | — | US | disclosed |
| US-4281180-A | Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1981-07-28 | — | — | US | disclosed |