Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27534582 | 0.91 | CA1 (0.39) | TGFBR1CA1CA2SLC1A3SLC1A2 | |
| SCHEMBL31259272 | 0.90 | TGFBR1 (0.52) | TGFBR1CA1CA2SLC1A3SLC1A2 | |
| SCHEMBL112740 | 0.88 | KDM4E (0.41) | TGFBR1CA2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL14110644 | 0.88 | KDM4E (0.41) | TGFBR1CA2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21540225 | 0.79 | CA1 (0.35) | TGFBR1CA1CA2KDM4EALDH1A1 | |
| SCHEMBL21540179 | 0.79 | CA1 (0.35) | TGFBR1CA1CA2KDM4EALDH1A1 | |
| SCHEMBL22215185 | 0.77 | CA1 (0.34) | CA1CA2ECE1ACE | |
| SCHEMBL29848957 | 0.77 | KDM4E (0.54) | TGFBR1CA1CA2KDM4EMAPT | |
| SCHEMBL20027131 | 0.77 | CA2 (0.41) | CA2SMN1; SMN2MME | |
| SCHEMBL4576097 | 0.77 | CA1 (0.34) | CA1CA2ECE1ACE |
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-1339669-A2 | N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB, S.A. (BE) | 2003-09-03 | — | — | EP | claimed |
| WO-2002042256-A2 | N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB, S.A. (BE) | 2002-05-30 | — | — | WO | claimed |