Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10648298 | 0.81 | HDAC6 (0.47) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| SCHEMBL10650936 | 0.80 | HSD17B10 (0.45) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| Desciclovir SCHEMBL29403096 | 0.79 | PNP (0.52) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| Desciclovir SCHEMBL2028 | 0.79 | PNP (0.52) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| SCHEMBL28299548 | 0.79 | HDAC6 (0.63) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| SCHEMBL9575793 | 0.79 | ALDH1A1 (0.40) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| SCHEMBL10996722 | 0.79 | HDAC1 (0.47) | HDAC6ALDH1A1HSP90AA1HSP90AB1ADORA2A | |
| SCHEMBL10582070 | 0.79 | ADORA2A (0.44) | ALDH1A1HSD17B10ADORA2ACYP1A2CYP3A4 | |
| SCHEMBL11001378 | 0.77 | HSD17B10 (0.46) | HDAC6ALDH1A1KDM4EHPGDADRA1A | |
| SCHEMBL10647648 | 0.77 | HPGD (0.42) | HDAC6ALDH1A1KDM4EHPGDADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0158513-A2 | Antiviral compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1985-10-16 | — | — | EP | claimed |
| EP-0158513-A2 | Antiviral compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1985-10-16 | — | — | EP | disclosed |