Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | BCL9 | O00512 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12506340 | 0.83 | CA1 (0.46) | CA1CA2BCL9CTNNB1MAPT | |
| SCHEMBL6377945 | 0.81 | HTR2A (0.49) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL6377951 | 0.81 | HTR2A (0.49) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL21633908 | 0.80 | MEN1 (0.51) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL2265249 | 0.80 | HTR2A (0.46) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL30579722 | 0.79 | BCL9 (0.51) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL28691529 | 0.78 | BCL9 (0.50) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL8605911 | 0.77 | MEN1 (0.49) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL10876891 | 0.77 | CYP19A1 (0.46) | CA1CA2ACHEBCL9CTNNB1 | |
| SCHEMBL5044150 | 0.77 | BCL9 (0.49) | CA1CA2ACHEBCL9CTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1372546-A | Fused pyrrolecarboxamides GABA brain receptor ligands | NEUROGEN CORP (US) | 2002-10-02 | — | — | CN | disclosed |
| CN-1209805-A | Novel fused pyrrole carboxamides, a novel class of GABA brain receptor ligands | NEUROGEN CORP (US) | 1999-03-03 | — | — | CN | disclosed |