Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HEXA | P06865 | 1/20 | 0.33 |
| ▸ | HEXB | P07686 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8437351 | 0.81 | MYC (0.41) | CYP3A4TDP1MYCCA12CA1 | |
| SCHEMBL1403691 | 0.77 | CYP3A4 (0.42) | CYP3A4TDP1ALDH1A1TSHRCYP1A2 | |
| SCHEMBL21333867 | 0.77 | MYC (0.47) | CYP3A4TDP1MYCCA12CA1 | |
| SCHEMBL1768583 | 0.75 | CYP3A4 (0.41) | CYP3A4TDP1DRD1 | |
| SCHEMBL4000406 | 0.74 | CYP3A4 (0.44) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL20873230 | 0.74 | TDP1 (0.44) | CYP3A4TDP1CA1CA2CA9 | |
| SCHEMBL21331888 | 0.74 | CYP3A4 (0.44) | CYP3A4TDP1MYCCA12CA1 | |
| SCHEMBL29635212 | 0.74 | CYP3A4 (0.44) | CYP3A4TDP1CA12CA1CA2 | |
| SCHEMBL2007683 | 0.74 | CYP3A4 (0.48) | CYP3A4TDP1MYCALDH1A1TSHR | |
| SCHEMBL1768305 | 0.74 | MYC (0.41) | CYP3A4TDP1MYCCA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060165580-A1 | Heterogeneous copper catalysts | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-07-27 | — | — | US | disclosed |
| EP-0269395-B1 | RUTHENIUM-PHOSPHINE COMPLEX CATALYSTS | Takasago International Corporation (JP) | 1993-02-17 | — | — | EP | disclosed |