Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | USP1 | O94782 | 1/20 | 0.39 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30170547 | 0.87 | ABL1 (0.42) | PTGS2PTGS1ABL1ALDH1A1CASP3 | |
| SCHEMBL27649740 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1SLC6A4SLC6A3NR4A2 | |
| SCHEMBL30679616 | 0.82 | PTGS2 (0.46) | PTGS2ABL1ALDH1A1CASP3SENP8 | |
| SCHEMBL7002149 | 0.82 | BCL2L1 (0.44) | NPC1MAPTMAOBRAB9ASMN1; SMN2 | |
| SCHEMBL3648334 | 0.81 | ALDH1A1 (0.47) | NPC1ALDH1A1MAPTRAB9AMAP4K4 | |
| SCHEMBL4115870 | 0.81 | PTGS2 (0.47) | PTGS2PTGS1SLC6A4SLC6A3NR4A2 | |
| SCHEMBL18241028 | 0.80 | PTGS2 (0.55) | PTGS2PTGS1SLC6A4SLC6A3NR4A2 | |
| Hydrogen Sulfide SCHEMBL27719947 | 0.80 | PTGS2 (0.55) | PTGS2PTGS1SLC6A4SLC6A3NR4A2 | |
| SCHEMBL19502452 | 0.79 | ALDH1A1 (0.46) | NPC1ALDH1A1MAPTRAB9AMAP4K4 | |
| SCHEMBL18720 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682143-A2 | COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | Pharmacia Corporation (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |