Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21746015 | 0.81 | F2 (0.32) | — | |
| SCHEMBL21746006 | 0.81 | — | — | |
| SCHEMBL21746579 | 0.80 | LMNA (0.35) | ALDH1A1HPGDTSHR | |
| SCHEMBL21746010 | 0.80 | F2 (0.35) | ALDH1A1 | |
| SCHEMBL21746797 | 0.72 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHR | |
| SCHEMBL21746793 | 0.70 | — | — | |
| SCHEMBL21746803 | 0.69 | — | — | |
| SCHEMBL21746671 | 0.65 | — | — | |
| SCHEMBL25075684 | 0.60 | — | — | |
| SCHEMBL14595642 | 0.60 | PDK1 (0.46) | ALDH1A1TSHR |
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-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |