Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28557758 | 0.84 | CYP1A2 (0.51) | CYP1A2TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL10924597 | 0.83 | NPC1 (0.51) | CYP1A2TSHRALDH1A1TDP1HSD17B10 | |
| SCHEMBL29274277 | 0.81 | ALDH1A1 (0.54) | CYP1A2TSHRALDH1A1TDP1SLC6A2 | |
| SCHEMBL5583414 | 0.80 | CYP1A2 (0.68) | CYP1A2TSHRALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL11161822 | 0.79 | ALDH1A1 (0.52) | CYP1A2TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL9949064 | 0.79 | CYP1A2 (0.51) | CYP1A2TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL10477945 | 0.78 | CYP1A2 (0.54) | CYP1A2TSHRALDH1A1TDP1HSD17B10 | |
| SCHEMBL7777994 | 0.77 | ALDH1A1 (0.50) | CYP1A2TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL3279320 | 0.77 | CYP1A2 (0.53) | CYP1A2TSHRALDH1A1TDP1HSD17B10 | |
| SCHEMBL4692662 | 0.75 | CYP1A2 (0.51) | CYP1A2TSHRALDH1A1TDP1HSD17B10 |
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 |