Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27854681 | 0.87 | CYP2C19 (0.39) | CYP2C19USP2KDM4ECYP2D6ALDH1A1 | |
| SCHEMBL27871318 | 0.86 | CYP2C19 (0.39) | CYP2C19USP2KDM4ECYP2D6ALDH1A1 | |
| SCHEMBL27854680 | 0.86 | CYP2C19 (0.39) | CYP2C19USP2KDM4ECYP2D6ALDH1A1 | |
| SCHEMBL27856508 | 0.84 | CYP2C19 (0.37) | CYP2C19USP2KDM4ECYP2D6ALDH1A1 | |
| SCHEMBL27856475 | 0.78 | USP2 (0.54) | CYP2C19USP2KDM4EALDH1A1RAB9A | |
| SCHEMBL27821081 | 0.75 | ADRA1D (0.47) | CYP2C19OPRM1OPRD1 | |
| SCHEMBL6520097 | 0.74 | CYP2C19 (0.65) | CYP2C19KDM4ECYP2D6ALDH1A1PKM | |
| SCHEMBL27691091 | 0.74 | PKM (0.33) | CYP2C19ALDH1A1PKMLMNAPOLB | |
| SCHEMBL28765618 | 0.71 | CHRM2 (0.41) | KDM4ECYP2D6ALDH1A1OPRM1LMNA | |
| SCHEMBL27721481 | 0.70 | TSHR (0.38) | CYP2C19USP2ALDH1A1RAB9APKM |
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 |
|---|---|---|---|---|---|---|---|
| CN-102498099-A | HSL inhibitors useful in the treatment of diabetes | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | claimed |
| CN-102498099-A | HSL inhibitors useful in the treatment of diabetes | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |