Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6934835 | 0.88 | MEN1 (0.57) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL27414320 | 0.88 | MAPT (0.47) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL6934839 | 0.88 | MEN1 (0.57) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL1695618 | 0.83 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1695491 | 0.81 | ESR1 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8871187 | 0.77 | KMT2A (0.45) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL11308988 | 0.77 | MEN1 (0.72) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL27956963 | 0.77 | LMNA (0.56) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL24704034 | 0.76 | MEN1 (0.70) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL648889 | 0.76 | MEN1 (0.70) | KMT2AMAPTMEN1KDM4EALDH1A1 |
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-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |