Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7538137 | 0.89 | ALDH1A1 (0.47) | ALDH1A1ESR1ESR2F2RL1PTGS2 | |
| SCHEMBL7538142 | 0.89 | ALDH1A1 (0.47) | ALDH1A1ESR1ESR2F2RL1PTGS2 | |
| Phenylalanine Methyl Ester SCHEMBL20448566 | 0.84 | SLC15A1 (0.58) | ALDH1A1SLC7A5LTA4HALPIPKM | |
| SCHEMBL15081048 | 0.83 | ALDH1A1 (0.50) | ALDH1A1ESR1ESR2PTGS2SLC7A5 | |
| SCHEMBL15080975 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KDM4EMAPTSMN1; SMN2ESR1 | |
| SCHEMBL9008882 | 0.83 | SPHK1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24648908 | 0.81 | ALDH1A1 (0.51) | ALDH1A1ESR1ESR2PTGS2SLC7A5 | |
| Tyrosine Methyl Ester SCHEMBL314923 | 0.81 | ESR1 (0.63) | ALDH1A1SLC6A2ESR1ESR2SLC7A5 | |
| SCHEMBL10076449 | 0.81 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AESR1ESR2 | |
| SCHEMBL5916451 | 0.81 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8476411-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX, INC. (US) | 2013-07-02 | — | — | US | disclosed |