Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 8/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14259966 | 0.84 | GFER (0.39) | ALDH1A1LMNATSHRRAB9ASMN1; SMN2 | |
| SCHEMBL3982260 | 0.81 | KDR (0.42) | ALDH1A1LMNATSHRKDRPDGFRB | |
| SCHEMBL12845563 | 0.79 | HDAC1 (0.44) | ALDH1A1LMNATSHRRAB9AMAPT | |
| SCHEMBL3979152 | 0.77 | ALDH1A1 (0.56) | ALDH1A1LMNARAB9AMAPTMEN1 | |
| SCHEMBL25736549 | 0.74 | CYP17A1 (0.45) | ALDH1A1LMNATSHRKDRRAB9A | |
| SCHEMBL25801495 | 0.67 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL3986789 | 0.65 | L3MBTL1 (0.40) | ALDH1A1TSHRMAPTHTT | |
| SCHEMBL3979264 | 0.64 | HSD17B10 (0.47) | ALDH1A1TSHRRAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14259958 | 0.64 | KEAP1 (0.57) | ALDH1A1LMNATSHRRAB9AMAPT | |
| SCHEMBL18202507 | 0.63 | CA1 (0.40) | ALDH1A1HTT |
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-2008025556-A1 | SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-06 | — | — | WO | disclosed |