Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL1074240 | 0.82 | PIK3CA (0.51) | PIK3CANPC1TP53TSHRRAB9A | |
| SCHEMBL19953050 | 0.73 | POLB (0.33) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL1905070 | 0.71 | NR1H2 (0.38) | NPC1TP53TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL19953044 | 0.69 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL19953198 | 0.66 | PTGS2 (0.68) | PIK3CANPC1TP53TSHRRAB9A | |
| SCHEMBL7929388 | 0.65 | NPC1 (0.60) | NPC1TP53TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL1075250 | 0.65 | KMT2A (0.38) | PIK3CANPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL19967375 | 0.64 | PTGS2 (0.67) | PTGS2PTGS1MAPK13MAPK12MAPK11 | |
| SCHEMBL1073917 | 0.64 | KCNH2 (0.36) | PIK3CAMAPT | |
| SCHEMBL3824723 | 0.64 | PTGS2 (0.51) | PIK3CANPC1TP53TSHRRAB9A |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |