Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.46 |
| ▸ | TTK | P33981 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6164774 | 0.88 | TTK (0.55) | PTPN1ESR2GPR119TTKPTPN5 | |
| SCHEMBL6959964 | 0.79 | PTPN1 (0.57) | PTPN1ESR2GPR119PTPN5FFAR1 | |
| SCHEMBL15540186 | 0.78 | EGLN2 (0.45) | MEN1NPC1GAARAB9AKMT2A | |
| SCHEMBL6957195 | 0.77 | PTPN1 (0.56) | PTPN1ESR2GPR119FFAR1AKR1B1 | |
| SCHEMBL4254852 | 0.76 | GAA (0.60) | MEN1NPC1GAARAB9AKMT2A | |
| SCHEMBL6956218 | 0.75 | PTPN1 (0.54) | PTPN1GPR119FFAR1AKR1B1S1PR1 | |
| Methylamine SCHEMBL8701837 | 0.75 | GPR119 (0.53) | PTPN1ESR2GPR119PTPN5FFAR1 | |
| SCHEMBL8196446 | 0.75 | CYP17A1 (0.51) | MEN1NPC1GAARAB9AKMT2A | |
| SCHEMBL6957139 | 0.75 | PTPN1 (0.53) | PTPN1GPR119FFAR1AKR1B1S1PR1 | |
| SCHEMBL6956199 | 0.74 | PTPN1 (0.52) | PTPN1GPR119GAAFFAR1AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876336-B1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6225345-B1 | FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME | NOVARTIS AG (CH) | 2001-05-01 | — | — | US | disclosed |