Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | GSR | P00390 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 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 | |
|---|---|---|---|---|
| SCHEMBL3473639 | 0.87 | TDP2 (0.58) | TDP2ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL3474309 | 0.86 | TDP2 (0.46) | TDP2ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL3471027 | 0.72 | TDP2 (0.62) | TDP2ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL21217389 | 0.72 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4EGAACYP2C9 | |
| SCHEMBL24968742 | 0.70 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EGAACYP2C9 | |
| SCHEMBL3471238 | 0.69 | TDP2 (0.80) | TDP2ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL15213161 | 0.67 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EMAPTGAA | |
| SCHEMBL3471919 | 0.67 | TDP2 (0.75) | TDP2ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL21893413 | 0.65 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTGAACYP2C9 | |
| SCHEMBL20061302 | 0.62 | PIK3CD (0.58) | — |
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-2010072807-A2 | INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE | FONDATION JEROME LEJEUNE (FR) | 2010-07-01 | — | — | WO | disclosed |