Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.47 |
| ▸ | BPTF | Q12830 | 4/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2550526 | 0.85 | ALDH1A1 (0.58) | PKMALDH1A1NPC1BRD9KAT2B | |
| SCHEMBL2547161 | 0.84 | ALDH1A1 (0.60) | PKMALDH1A1NPC1BRD9BPTF | |
| SCHEMBL2549761 | 0.84 | RAB9A (0.59) | PKMALDH1A1NPC1BRD9KAT2B | |
| SCHEMBL20831802 | 0.83 | ALDH1A1 (0.56) | PKMALDH1A1NPC1BRD9BPTF | |
| SCHEMBL16133060 | 0.79 | ALDH1A1 (0.55) | PKMALDH1A1NPC1BRD9BPTF | |
| SCHEMBL23573211 | 0.77 | ALDH1A1 (0.50) | PKMALDH1A1NPC1BRD9BPTF | |
| SCHEMBL4675758 | 0.76 | CA12 (0.56) | ALDH1A1HTR1AHTR2APOLBADRB1 | |
| SCHEMBL6030180 | 0.76 | ALDH1A1 (0.66) | ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL26669452 | 0.75 | ADRB1 (0.46) | BRD9DRD2DRD3HTR1AHTR2A | |
| SCHEMBL27557962 | 0.74 | BRD9 (0.46) | BRD9DRD2DRD3DRD4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5395934-A | Antiarrhythmia agents and cardiovascular disorders | EGIS GYOGYSZERGYAR (HU) | 1995-03-07 | — | — | US | disclosed |
| CN-1088578-A | 3 (2H)-pyridazinone derivatives and preparation method thereof | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1994-06-29 | — | — | CN | disclosed |