Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | TLR4 | O00206 | 1/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | CPB1 | P15086 | 2/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL360613 | 1.00 | ALDH1A1 (0.65) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL10449418 | 0.88 | ALDH1A1 (0.59) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL27345291 | 0.88 | ALDH1A1 (0.59) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL10321293 | 0.88 | ALDH1A1 (0.59) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL17791355 | 0.88 | ALDH1A1 (0.78) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL13275491 | 0.88 | ALDH1A1 (0.78) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL15428355 | 0.88 | ALDH1A1 (0.65) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL8548058 | 0.88 | ALDH1A1 (0.65) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL13275492 | 0.88 | ALDH1A1 (0.78) | ALDH1A1GAATSHREPHX1CTSL | |
| SCHEMBL15221619 | 0.88 | ALDH1A1 (0.65) | ALDH1A1GAATSHREPHX1CTSL |
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-2021003314-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-01-07 | — | — | WO | disclosed |