Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.79 |
| ▸ | TSHR | P16473 | 1/20 | 0.79 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30261877 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL69613 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL301933 | 0.88 | ALDH1A1 (0.69) | ALDH1A1TSHRHPGDARNPC1 | |
| Ammonia Solution, Strong SCHEMBL10338964 | 0.86 | ALDH1A1 (0.67) | ALDH1A1TSHRHPGDARNPC1 | |
| SCHEMBL10587696 | 0.82 | ALDH1A1 (0.68) | ALDH1A1TSHRHPGDARNPC1 | |
| (Chloromethyl)Benzene SCHEMBL10787010 | 0.80 | ALDH1A1 (0.82) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL5186181 | 0.79 | ALDH1A1 (0.74) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL13777208 | 0.78 | HSD17B10 (0.62) | ALDH1A1TSHRHPGDARNPC1 | |
| SCHEMBL1246296 | 0.78 | HSPA5 (0.59) | ALDH1A1TSHRHPGDARNPC1 | |
| SCHEMBL4692660 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDARNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4874763-A | ANTIARRHYTHMIA AGENTS | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1989-10-17 | — | — | US | disclosed |