Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | CDC25A | P30304 | 2/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL5311850 | 0.86 | PTPN1 (0.43) | PTPN1CDC25ADUSP3ELANENOTUM | |
| SCHEMBL5259057 | 0.81 | KDM4E (0.38) | PTPN1CDC25ADUSP3MAPTKDM4E | |
| SCHEMBL5259574 | 0.74 | HTR2A (0.41) | ALDH1A1MAPTKDM4EMEN1HTT | |
| SCHEMBL5259114 | 0.74 | PTPN1 (0.41) | PTPN1CDC25ADUSP3ALDH1A1MAPT | |
| SCHEMBL5259688 | 0.74 | PTPN1 (0.44) | PTPN1CDC25ADUSP3ELANEFNTA | |
| SCHEMBL5256604 | 0.69 | DYRK1A (0.47) | PTPN1CDC25ADUSP3ALDH1A1MAPT | |
| SCHEMBL5310989 | 0.68 | PTPN1 (0.44) | PTPN1CDC25ADUSP3ALDH1A1MAPT | |
| SCHEMBL5959180 | 0.68 | PTPN1 (0.39) | PTPN1CDC25ADUSP3ALDH1A1MAPT | |
| SCHEMBL5959251 | 0.67 | FNTA (0.44) | PTPN1CDC25ADUSP3ALDH1A1MAPT | |
| SCHEMBL5959279 | 0.67 | MEN1 (0.40) | PTPN1CDC25ADUSP3ALDH1A1MEN1 |
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-2016201575-A1 | SYSTEMS AND METHODS FOR PREDICTING CARDIOTOXICITY OF MOLECULAR PARAMETERS OF A COMPOUND BASED ON MACHINE LEARNING ALGORITHMS | UTI LIMITED PARTNERSHIP (CA) | 2016-12-22 | — | — | WO | disclosed |