Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.62 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.56 |
| ▸ | NFKBIA | P25963 | 2/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.55 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ACLY | P53396 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30737723 | 0.86 | PTGES2 (0.56) | SLC22A12PTGES2NFKBIARELASLC40A1 | |
| SCHEMBL3783806 | 0.81 | CA2 (0.66) | PTGES2NFKBIARELASLC40A1MEN1 | |
| SCHEMBL27176677 | 0.79 | NFKBIA (0.55) | PTGES2NFKBIARELASLC40A1MEN1 | |
| SCHEMBL11509072 | 0.77 | MEN1 (0.56) | NFKBIARELASLC40A1MEN1KMT2A | |
| SCHEMBL7090449 | 0.76 | CA1 (0.64) | MEN1KMT2ATDP1TSHRCA1 | |
| SCHEMBL7444314 | 0.76 | CA1 (0.51) | MEN1KMT2AGAAALDH1A1PKM | |
| SCHEMBL5737105 | 0.76 | TSHR (0.58) | SLC22A12ACLYPSIP1ALDH1A1PKM | |
| SCHEMBL7451030 | 0.76 | PKM (0.64) | SLC22A12NFKBIARELASLC40A1MEN1 | |
| SCHEMBL7852262 | 0.76 | PTGES2 (0.68) | SLC22A12PTGES2SLC40A1ACLY | |
| SCHEMBL27770316 | 0.76 | MEN1 (0.63) | NFKBIARELASLC40A1MEN1KMT2A |
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-0777660-A1 | NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996005185-A1 | NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-02-22 | — | — | WO | disclosed |