Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4A | P47712 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7166523 | 0.80 | PTPN1 (0.53) | CES1PTPN1PTPN2LMNARAB9A | |
| SCHEMBL7594242 | 0.76 | ESR1 (0.44) | PTPN1PTPN2LMNAEPHX1CHRM1 | |
| SCHEMBL7629991 | 0.74 | PTPN1 (0.43) | PLA2G4ACES1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7626425 | 0.73 | PTPN1 (0.54) | PLA2G4ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7594872 | 0.66 | PTPN1 (0.37) | PTPN1PTPN2 | |
| SCHEMBL7626428 | 0.66 | PTPN1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7373291 | 0.61 | PLA2G4A (0.40) | PLA2G4ACES1MMP2MMP3MMP7 | |
| SCHEMBL27628035 | 0.61 | POLB (0.59) | CES1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL22344416 | 0.61 | KDM4E (0.46) | LMNATSHRALDH1A1 | |
| SCHEMBL31530570 | 0.61 | LMNA (0.46) | PLA2G4ACES1CYP1A2CYP3A4CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003518130-A | — | — | 2003-06-03 | — | — | JP | claimed |
| EP-1244678-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | claimed |
| WO-2001046206-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | claimed |
| EP-1244678-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001046206-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |