Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 3/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 8/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.44 |
| ▸ | PTPRF | P10586 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3918404 | 0.88 | ALDH1A1 (0.52) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL3917277 | 0.85 | ALDH1A1 (0.48) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL646518 | 0.82 | ALDH1A1 (0.54) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL3917977 | 0.82 | KEAP1 (0.50) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL27737966 | 0.80 | ALDH1A1 (0.47) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL4956387 | 0.77 | ALDH1A1 (0.53) | ALDH1A1PTPN1PTPN6PTPN2KEAP1 | |
| SCHEMBL2892656 | 0.75 | ALDH1A1 (0.51) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL2892950 | 0.75 | ALDH1A1 (0.48) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 | |
| SCHEMBL629539 | 0.74 | MAOB (0.45) | ALDH1A1KEAP1NFE2L2 | |
| SCHEMBL3922237 | 0.74 | ALDH1A1 (0.46) | ALDH1A1PTPN1PTPN6PTPN2CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101421256-A | Thiadiazolidinone inhibitors of ptpase | NOVARTIS AG (CH) | 2009-04-29 | — | — | CN | disclosed |