Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5021031 | 0.79 | PTPN1 (0.63) | CYP2A6CYP1A2PTPN1KDM4EPTPN2 | |
| SCHEMBL5021024 | 0.79 | PTPN1 (0.71) | PTPN1PTPN2 | |
| SCHEMBL5020990 | 0.75 | PTPN1 (0.51) | CYP2A6CYP1A2PTPN1PTPN2 | |
| SCHEMBL1042195 | 0.74 | NOTUM (0.54) | CYP2A6CYP1A2RAB9A | |
| SCHEMBL5021033 | 0.74 | RELA (0.51) | CYP1A2PTPN1 | |
| SCHEMBL5021034 | 0.73 | CYP2A6 (0.46) | CYP2A6PTPN1RAB9APTPN2NPC1 | |
| SCHEMBL23643815 | 0.73 | CYP1A2 (0.52) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL29732501 | 0.73 | CYP1A2 (0.52) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL14503733 | 0.73 | CYP1A2 (0.52) | CYP2A6CYP1A2HSD17B1HSD17B2RAB9A | |
| SCHEMBL14502703 | 0.72 | CA1 (0.47) | CYP2A6CYP1A2RAB9AKDM4ENPC1 |
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-8168815-B2 | Fused aromatic PTP-1B inhibitors | KANEQ PHARMA INC. (CA) | 2012-05-01 | — | — | US | disclosed |