Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6916238 | 0.99 | HDAC3 (0.41) | HDAC3HDAC8HDAC6CYP1A2CYP2D6 | |
| SCHEMBL6912630 | 0.88 | HDAC3 (0.47) | HDAC3HDAC8HDAC6CYP1A2CYP2D6 | |
| SCHEMBL6915496 | 0.83 | ACHE (0.49) | CYP2D6MAPTNR1H4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6914315 | 0.82 | SIGMAR1 (0.48) | CYP2D6MAPTNR1H4MEN1KMT2A | |
| SCHEMBL6912895 | 0.81 | HDAC8 (0.40) | HDAC8HDAC6CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6914095 | 0.80 | OPRK1 (0.41) | HDAC3HDAC6CYP2D6MAPTNR1H4 | |
| Hydrochloric Acid SCHEMBL6913077 | 0.80 | ACHE (0.41) | HDAC8HDAC6CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL6913534 | 0.79 | OPRK1 (0.41) | HDAC3HDAC6CYP2D6MAPTNR1H4 | |
| SCHEMBL5166617 | 0.78 | HDAC3 (0.44) | HDAC3HDAC8HDAC6CYP1A2CYP2D6 | |
| SCHEMBL6907045 | 0.74 | SQLE (0.42) | CYP2D6SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1112998-B1 | AMINE DERIVATIVES | POLA CHEM IND INC (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6586633-B1 | Antifungal agents | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1112998-A1 | AMINE DERIVATIVES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-07-04 | — | — | EP | disclosed |