Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL28887896 | 0.86 | CA2 (0.41) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL8607131 | 0.84 | CA2 (0.39) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL11202987 | 0.80 | PHGDH (0.39) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL16669183 | 0.79 | CA2 (0.42) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL11736744 | 0.77 | CYP1A2 (0.46) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL1681596 | 0.77 | CYP1A2 (0.44) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL7487241 | 0.77 | CA2 (0.41) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL541757 | 0.77 | CA2 (0.41) | PHGDHCA2CA12CA1CA9 | |
| Methylpiperazine SCHEMBL4779540 | 0.75 | — | — | |
| Methylpiperazine SCHEMBL28815146 | 0.75 | — | — |
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-2002083863-A2 | THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF | SEPRACOR, INC. (US) | 2002-10-24 | — | — | WO | disclosed |