Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5254230 | 0.91 | TP53 (0.53) | TP53GPR119NPC1RAB9AKMT2A | |
| SCHEMBL15009205 | 0.87 | HTR1A (0.50) | — | |
| SCHEMBL5871429 | 0.87 | FPR2 (0.51) | TP53GPR119NPC1RAB9AESR2 | |
| SCHEMBL4993502 | 0.87 | ESR2 (0.48) | TP53GPR119NPC1RAB9AKMT2A | |
| SCHEMBL5871267 | 0.85 | TP53 (0.50) | TP53GPR119NPC1RAB9AESR2 | |
| SCHEMBL5870923 | 0.84 | TP53 (0.49) | TP53GPR119NPC1RAB9AESR2 | |
| SCHEMBL12459066 | 0.84 | ALDH1A1 (0.53) | TP53GPR119NPC1RAB9AESR2 | |
| SCHEMBL2707784 | 0.84 | GPR119 (0.52) | TP53GPR119NPC1RAB9AKDM4E | |
| SCHEMBL4114089 | 0.81 | NR1H2 (0.59) | TP53GPR119NPC1RAB9AESR2 | |
| SCHEMBL2774721 | 0.81 | SMN1; SMN2 (0.49) | TP53GPR119KMT2ASMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1487822-B1 | PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS | LILLY CO ELI (US) | 2007-08-01 | — | — | EP | disclosed |