Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 2/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7206110 | 0.80 | SMN1; SMN2 (0.51) | EPHX1SMN1; SMN2TSHRSIGMAR1CYP2C19 | |
| SCHEMBL7172042 | 0.80 | SMN1; SMN2 (0.51) | EPHX1SMN1; SMN2TSHRSIGMAR1CYP2C19 | |
| SCHEMBL10440174 | 0.77 | EPHX1 (0.50) | EPHX1SIGMAR1CYP1A2TRPA1 | |
| SCHEMBL6930122 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2C19L3MBTL1 | |
| SCHEMBL6930120 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2C19L3MBTL1 | |
| SCHEMBL7169372 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP2C19L3MBTL1 | |
| SCHEMBL2065618 | 0.76 | EPHX1 (0.73) | EPHX1SMN1; SMN2TSHRCYP2C19ATM | |
| SCHEMBL2369596 | 0.76 | TRPA1 (0.44) | EPHX1SMN1; SMN2TSHRCYP2C19ATM | |
| SCHEMBL15184700 | 0.76 | TRPA1 (0.44) | EPHX1SMN1; SMN2TSHRCYP2C19ATM | |
| SCHEMBL15184715 | 0.76 | TRPA1 (0.44) | EPHX1SMN1; SMN2TSHRCYP2C19ATM |
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-6528686-B1 | Reacting primary amine and ketone functionalized derivatives; catalytically reducing | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-03-04 | — | — | US | disclosed |