Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | CCR6 | P51684 | 2/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HPN | P05981 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29392129 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPTPKMCCR6 | |
| SCHEMBL12218591 | 0.80 | HPN (0.53) | ALDH1A1TDP1MAPTPKMCCR6 | |
| SCHEMBL18806465 | 0.80 | RECQL (0.62) | ALDH1A1TDP1TSHRL3MBTL1LMNA | |
| SCHEMBL7803352 | 0.78 | ALDH1A1 (0.49) | ALDH1A1TDP1MAPTTSHRCYP3A4 | |
| SCHEMBL14656749 | 0.78 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPTPKMCCR6 | |
| SCHEMBL11825666 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPTHTTTSHR | |
| SCHEMBL11646717 | 0.77 | HSD17B10 (0.55) | ALDH1A1TDP1MAPTPKMCCR6 | |
| SCHEMBL11726838 | 0.76 | CA12 (0.50) | ALDH1A1TDP1MAPTHPGDTSHR | |
| SCHEMBL13253426 | 0.75 | TDP1 (0.56) | ALDH1A1TDP1MAPTHTTNPSR1 | |
| SCHEMBL7607085 | 0.74 | MGLL (0.59) | ALDH1A1TDP1MAPTPKMCCR6 |
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-3897838-A1 | <SUP2/>? <SUB2/>?2?SYNTHETIC IIMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS | Universitat de Barcelona (ES) | 2021-10-27 | — | — | EP | disclosed |