Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | MMP3 | P08254 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 3/20 | 0.43 |
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4743617 | 0.82 | CYP1A2 (0.53) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1289778 | 0.79 | MAPT (0.43) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3782967 | 0.79 | MMP2 (0.54) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26425567 | 0.78 | CA12 (0.49) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5050954 | 0.78 | CA12 (0.49) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5050905 | 0.78 | CA12 (0.49) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30096658 | 0.78 | CA12 (0.49) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5050904 | 0.78 | CA12 (0.49) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27415448 | 0.77 | CYP1A2 (0.49) | CA12CA9CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1289727 | 0.74 | RECQL (0.51) | ALDH1A1GAAHPGDKMT2A |
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-2007098356-A1 | CONGENERS OF MILNACIPRAN AS MONOAMINE RE-UPTAKE | NEUROCRINE BIOSCIENCES, INC. (US) | 2007-08-30 | — | — | WO | disclosed |