Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.45 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.45 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20855926 | 0.91 | CA1 (0.58) | ALDH1A1HPGDGAASENP1CA1 | |
| SCHEMBL14141253 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CNR1CNR2KDM4ERAB9A | |
| SCHEMBL8918173 | 0.84 | CA1 (0.50) | ALDH1A1HPGDGAASENP1CA1 | |
| SCHEMBL4122910 | 0.83 | CA12 (0.50) | ALDH1A1CA1CA2CNR1CNR2 | |
| SCHEMBL31366603 | 0.82 | RECQL (0.51) | ALDH1A1HPGDGAASENP1CNR1 | |
| SCHEMBL2079720 | 0.82 | RECQL (0.51) | ALDH1A1HPGDGAASENP1CNR1 | |
| SCHEMBL1342696 | 0.80 | RECQL (0.53) | ALDH1A1CNR1CNR2KDM4ERXFP1 | |
| SCHEMBL4496800 | 0.79 | MGLL (0.51) | CA1CA2MGLL | |
| SCHEMBL5278117 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CNR1CNR2KDM4ERXFP1 | |
| SCHEMBL2080055 | 0.77 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4ERAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0227100-B1 | N-VINYLIMIDAZOLES AND -TRIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1991-04-03 | — | — | EP | disclosed |