Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10477357 | 0.87 | ALDH1A1 (0.46) | CYP3A4ALDH1A1ELANEESR1ESR2 | |
| SCHEMBL282134 | 0.80 | ALDH1A1 (0.53) | CYP3A4HPGDALDH1A1FFAR4KMT2A | |
| SCHEMBL12925519 | 0.79 | CYP3A4 (0.43) | CYP3A4HPGDALDH1A1FFAR4ELANE | |
| SCHEMBL10044449 | 0.78 | DHFR (0.43) | CYP3A4HPGDALDH1A1FFAR4ELANE | |
| SCHEMBL16546632 | 0.76 | CYP3A4 (0.49) | CYP3A4HPGDALDH1A1FFAR4ESR1 | |
| SCHEMBL8635370 | 0.74 | KMT2A (0.39) | HPGDALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL25868614 | 0.73 | CYP3A4 (0.39) | CYP3A4HPGDALDH1A1FFAR4ELANE | |
| SCHEMBL10051169 | 0.72 | NQO2 (0.44) | CYP3A4HPGDALDH1A1NQO2CYP1A2 | |
| SCHEMBL8631935 | 0.72 | HSPA5 (0.33) | ALDH1A1POLBKMT2AMEN1KDM4E | |
| SCHEMBL13067432 | 0.72 | ALDH1A1 (0.48) | CYP3A4HPGDALDH1A1FFAR4ELANE |
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-4879398-A | Process for producing 2,6-disubstituted tyrosine | MONSANTO COMPANY (US) | 1989-11-07 | — | — | US | disclosed |