Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | APEX1 | P27695 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13547920 | 0.79 | CHRM2 (0.50) | CYP3A4CHRM2CHRM1CHRM3CHRNB2 | |
| SCHEMBL13957646 | 0.79 | CYP3A4 (0.57) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL6718864 | 0.79 | CYP3A4 (0.57) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL6718860 | 0.78 | CYP1A2 (0.54) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL1669323 | 0.75 | AKR1B1 (0.49) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL9422794 | 0.72 | MAPT (0.64) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL7107116 | 0.72 | MAPT (0.64) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL9775967 | 0.72 | MAPT (0.64) | CYP3A4POLBBLMKDM4EALDH1A1 | |
| SCHEMBL21690928 | 0.71 | CYP2C19 (0.53) | CYP3A4POLBALDH1A1MAPTHPGD | |
| SCHEMBL14035865 | 0.71 | CHRM2 (0.58) | CYP3A4ALDH1A1CHRM2CHRM1CHRM3 |
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-8343928-B2 | Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus | SEATTLE GENETICS, INC. (US) | 2013-01-01 | — | — | US | disclosed |