Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14471162 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16704776 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL14530533 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL17011628 | 0.79 | TSHR (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL12186961 | 0.79 | LTA4H (0.44) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL7403189 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9302792 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL13894287 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL14037213 | 0.78 | TDP1 (0.44) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL20307592 | 0.78 | TDP1 (0.44) | ALDH1A1CA12CA1CA2CA9 |
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-2022129047-A2 | NOVEL MODULATORS OF THE NMDA RECEPTOR | H. LUNDBECK A/S (DK) | 2022-06-23 | — | — | WO | disclosed |
| EP-1907860-B1 | MASS LABELS | ELECTROPHORETICS LTD (GB) | 2010-11-17 | — | — | EP | disclosed |