Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3258908 | 1.00 | CYP1A2 (0.50) | CYP1A2ALDH1A1TSHRGPR35ERN1 | |
| SCHEMBL3259336 | 0.84 | CYP1A2 (0.51) | CYP1A2ALDH1A1TSHRGPR35ERN1 | |
| SCHEMBL14436536 | 0.84 | CYP1A2 (0.51) | CYP1A2ALDH1A1TSHRGPR35ERN1 | |
| SCHEMBL3697952 | 0.81 | CYP1A2 (0.59) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 | |
| SCHEMBL27495359 | 0.79 | CYP1A2 (0.54) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 | |
| SCHEMBL3241378 | 0.79 | CYP1A2 (0.49) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 | |
| SCHEMBL29557923 | 0.79 | CYP1A2 (0.49) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 | |
| SCHEMBL31014201 | 0.79 | CYP1A2 (0.58) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 | |
| SCHEMBL506668 | 0.79 | CYP1A2 (0.58) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 | |
| SCHEMBL8521008 | 0.79 | CYP1A2 (0.58) | CYP1A2ALDH1A1TSHRGPR35HSD17B10 |
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-1378505-B1 | METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS | YAKULT HONSHA KK (JP) | 2014-11-05 | — | — | EP | disclosed |