Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL754834 | 0.91 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP2D6CYP2C9HTT | |
| SCHEMBL10290647 | 0.74 | ALDH1A1 (0.38) | CYP1A2CYP2C19CYP2D6CYP2C9HTT | |
| SCHEMBL6372807 | 0.74 | KMT2A (0.51) | ALDH1A1POLBKMT2ASMN1; SMN2MAPT | |
| SCHEMBL752977 | 0.70 | ALDH1A1 (0.39) | CYP1A2CYP2C19CYP2D6CYP2C9HTT | |
| SCHEMBL4676184 | 0.70 | HTT (0.75) | CYP2C19CYP2D6CYP2C9HTTALDH1A1 | |
| SCHEMBL753324 | 0.70 | ALDH1A1 (0.42) | CYP1A2CYP2C19CYP2D6CYP2C9HTT | |
| SCHEMBL13255591 | 0.70 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP2D6CYP2C9HTT | |
| SCHEMBL3222142 | 0.70 | TDP1 (0.58) | HTTPOLBKMT2ASMN1; SMN2MAPT | |
| SCHEMBL5583581 | 0.69 | KDR (0.49) | ALDH1A1POLBKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL752416 | 0.69 | POLB (0.39) | CYP1A2CYP2C19CYP2D6CYP2C9HTT |
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-1422218-B1 | ANTIVIRAL AGENT | SHIONOGI & CO (JP) | 2012-03-21 | — | — | EP | disclosed |