Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 8/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6049954 | 1.00 | CXCR2 (0.42) | CXCR2NT5ECYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6049951 | 0.99 | CXCR2 (0.41) | CXCR2NT5ECYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5837753 | 0.99 | CXCR2 (0.41) | CXCR2NT5ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6050010 | 0.86 | CXCR2 (0.46) | CXCR2NT5ERAB9ACXCR4ALDH1A1 | |
| SCHEMBL5837677 | 0.86 | CXCR2 (0.46) | CXCR2NT5ERAB9ACXCR4ALDH1A1 | |
| SCHEMBL6049849 | 0.83 | NT5E (0.38) | CXCR2NT5ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5838331 | 0.83 | NT5E (0.38) | CXCR2NT5ECYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5837761 | 0.81 | CXCR2 (0.39) | CXCR2NT5EALDH1A1MAPTLMNA | |
| SCHEMBL5836756 | 0.76 | PTPN1 (0.45) | — | |
| SCHEMBL5838486 | 0.76 | PTPN1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7115624-B1 | Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 | NOVO NORDISK A/S (DK) | 2006-10-03 | — | — | US | disclosed |