Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911981 | 0.81 | ALDH1A1 (0.47) | ALDH1A1NPC1PPARGHTTRAB9A | |
| SCHEMBL9847694 | 0.68 | CRBN (0.45) | ALDH1A1NPC1PPARGHTTRAB9A | |
| SCHEMBL471434 | 0.65 | CRBN (0.47) | ALDH1A1CRBNDDB1HDAC3HDAC4 | |
| SCHEMBL8915943 | 0.62 | HPGD (0.54) | ALDH1A1CRBNCHRM2CHRM3RIPK1 | |
| SCHEMBL21484131 | 0.61 | CRBN (0.84) | CRBNDDB1RIPK1HPGDSIGMAR1 | |
| SCHEMBL8913618 | 0.61 | CRBN (0.42) | ALDH1A1NPC1HTTRAB9ACRBN | |
| SCHEMBL260966 | 0.60 | HDAC3 (0.70) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9928309 | 0.60 | HPGD (0.61) | ALDH1A1CRBNCHRM2CHRM3HPGD | |
| SCHEMBL28874149 | 0.60 | HPGD (0.61) | ALDH1A1CRBNCHRM2CHRM3HPGD | |
| SCHEMBL31435878 | 0.60 | HPGD (0.61) | ALDH1A1CRBNCHRM2CHRM3RIPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |