Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ESRRA | P11474 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2691065 | 0.83 | PTPN1 (0.69) | PTPN1PTPN2PTPRC | |
| SCHEMBL2692776 | 0.77 | PTPN1 (0.48) | CYP2A6PTPN1PTPN2PTPRCMEN1 | |
| SCHEMBL5021031 | 0.76 | PTPN1 (0.63) | CYP2A6PTPN1ALDH1A1HPGDPTPN2 | |
| SCHEMBL15105728 | 0.74 | CYP2A6 (0.69) | CYP2A6MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL21215857 | 0.74 | CYP2A6 (0.69) | CYP2A6MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL834744 | 0.74 | CYP2A6 (0.68) | CYP2A6MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL17056474 | 0.74 | NOTUM (0.68) | MAPTNOTUMMEN1NPC1RAB9A | |
| SCHEMBL5021040 | 0.73 | CYP2A6 (0.44) | CYP2A6PTPN1PTPN2NPC1RAB9A | |
| SCHEMBL599006 | 0.72 | CYP2A6 (0.79) | CYP2A6MAPTALDH1A1HPGDMEN1 | |
| SCHEMBL29451111 | 0.72 | CYP2A6 (0.79) | CYP2A6MAPTALDH1A1HPGDMEN1 |
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 |