Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15933244 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL7993902 | 0.72 | OPRM1 (0.46) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL20870672 | 0.70 | CES2 (0.65) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL3876454 | 0.70 | CES2 (0.65) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL9100653 | 0.69 | CES2 (0.62) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL9832146 | 0.69 | SRD5A2 (0.50) | ALDH1A1CES2NPSR1CCNA2CDK2 | |
| SCHEMBL323339 | 0.69 | CES2 (0.57) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL25216553 | 0.68 | CES2 (0.61) | ALDH1A1CES2OPRM1OPRL1NPSR1 | |
| SCHEMBL12305535 | 0.68 | ACHE (0.53) | HDAC6PARP1 | |
| SCHEMBL7999879 | 0.67 | ALDH1A1 (0.51) | ALDH1A1NPSR1POLBHDAC6TAS1R3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001046152-A1 | HERBICIDAL DIACYL DERIVATIVES OF PROPYLENE DIAMINE | MONSANTO TECHNOLOGY LLC (US) | 2001-06-28 | — | — | WO | disclosed |