Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | PRKCI | P41743 | 5/20 | 0.31 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.30 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13905270 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TLR7SMN1; SMN2PRKCISHMT2 | |
| SCHEMBL3950119 | 0.85 | TLR7 (0.34) | ALDH1A1TLR7PRKCISHMT2ATR | |
| SCHEMBL28162119 | 0.72 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2PRKCISHMT2ATR | |
| SCHEMBL29200836 | 0.69 | L3MBTL1 (0.41) | ALDH1A1PRKCIATR | |
| SCHEMBL3949363 | 0.68 | POLB (0.47) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL19597568 | 0.67 | ATR (0.44) | ALDH1A1TLR7PRKCISHMT2ATR | |
| SCHEMBL3949001 | 0.67 | EPHX2 (0.46) | SMN1; SMN2AAK1 | |
| SCHEMBL13560302 | 0.65 | ECE1 (0.37) | — | |
| SCHEMBL28389860 | 0.65 | MAP4K4 (0.43) | PRKCIATR | |
| SCHEMBL30281178 | 0.65 | SMN1; SMN2 (0.40) | ALDH1A1TLR7SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |