Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 7/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6507067 | 0.89 | IKBKB (0.46) | IKBKBPARP1ARHSD17B10KDM4E | |
| SCHEMBL6510847 | 0.81 | NPC1 (0.43) | IKBKBHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6366531 | 0.76 | MCL1 (0.40) | IKBKBPPARGPTPN1CYP3A4 | |
| SCHEMBL6366525 | 0.76 | MCL1 (0.40) | IKBKBPPARGPTPN1CYP3A4 | |
| SCHEMBL6365927 | 0.75 | CDK2 (0.45) | PTPN1 | |
| SCHEMBL6365922 | 0.75 | CDK2 (0.45) | PTPN1 | |
| SCHEMBL6365992 | 0.75 | FTO (0.46) | PPARGPTPN1 | |
| SCHEMBL6365995 | 0.75 | FTO (0.46) | PPARGPTPN1 | |
| SCHEMBL4088592 | 0.74 | IKBKB (1.00) | IKBKBHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL30740913 | 0.74 | IKBKB (0.56) | IKBKBHSD17B10KDM4EPPARGNCOA2 |
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-2005113522-A1 | AZOLE CARBOXAMIDE INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-12-01 | — | — | WO | disclosed |