Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | DBH | P09172 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12040090 | 0.85 | MAPT (0.44) | PKMPTPN1SORT1CSNK2A1CA12 | |
| SCHEMBL4511056 | 0.81 | SORT1 (0.39) | SORT1MAPT | |
| SCHEMBL29434188 | 0.81 | SORT1 (0.39) | SORT1MAPT | |
| SCHEMBL7909292 | 0.81 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12040097 | 0.79 | CA12 (0.61) | PTPN1CA12CA1CA2CA7 | |
| SCHEMBL29899097 | 0.79 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13978699 | 0.79 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL9744070 | 0.79 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14106373 | 0.79 | CNR2 (0.39) | PKMCA12CA1CA2CA7 | |
| SCHEMBL1553967 | 0.77 | SORT1 (0.37) | SORT1ESR1RECQLMAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-8367660-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-05 | — | — | US | disclosed |
| US-6190833-B1 | (A) A PHENOL RESIN, (B) AN AMINO RESIN, (C) A COMPOUND HAVING TWO OR MORE CROSSLINKING GROUPS IN A MOLECULE, AND (D) A HALOMETHYL-1,3,5-TRIAZINE COMPOUND. | JSR CORPORATION (JP) | 2001-02-20 | — | — | US | disclosed |