Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22488141 | 0.80 | CYP3A4 (0.45) | CYP3A4TDP1LOXL2TAAR1HTR2A | |
| SCHEMBL2329641 | 0.74 | CYP3A4 (0.45) | CYP3A4TDP1LOXL2TAAR1HTR2A | |
| SCHEMBL22488139 | 0.72 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL10024968 | 0.70 | CYP3A4 (0.41) | CYP3A4TDP1LOXL2TAAR1HTR2A | |
| Hydrochloric Acid SCHEMBL3640613 | 0.70 | CYP3A4 (0.41) | CYP3A4TDP1LOXL2TAAR1HTR2A | |
| SCHEMBL7066680 | 0.70 | CYP3A4 (0.41) | CYP3A4TDP1LOXL2TAAR1HTR2A | |
| SCHEMBL14948634 | 0.69 | CYP3A4 (0.53) | CYP3A4TDP1LOXL2SMN1; SMN2ESR1 | |
| SCHEMBL8129929 | 0.69 | — | — | |
| SCHEMBL12445843 | 0.69 | LTA4H (0.35) | CYP3A4TDP1HTR2ASMN1; SMN2CYP1A2 | |
| SCHEMBL474250 | 0.65 | CYP3A4 (0.41) | CYP3A4TDP1LOXL2TAAR1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102781948-A | Enantiomerically enriched aminodiphosphines as ligands for the preparation of catalysts for asymmetric synthesis | ENANTIA S L | 2012-11-14 | — | — | CN | disclosed |