Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13337664 | 0.94 | ALDH1A1 (0.43) | HPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL13337650 | 0.88 | NPSR1 (0.48) | KCNH2NPSR1HPGDALDH1A1 | |
| SCHEMBL13366281 | 0.84 | KMT2A (0.41) | NPC1RAB9AALDH1A1 | |
| SCHEMBL13337695 | 0.83 | HPGD (0.47) | KIF11KCNH2ACP3HPGDNPC1 | |
| SCHEMBL2341405 | 0.77 | ACP3 (0.53) | KIF11KCNH2ACP3NPC1RAB9A | |
| SCHEMBL2362526 | 0.77 | ACP3 (0.53) | KIF11KCNH2ACP3NPC1RAB9A | |
| SCHEMBL13337662 | 0.76 | CA1 (0.46) | HPGDNPC1RAB9AALDH1A1 | |
| SCHEMBL13337684 | 0.76 | CYP3A4 (0.44) | LTA4H | |
| SCHEMBL29323967 | 0.76 | NPC1 (0.46) | KIF11KCNH2ACP3HPGDNPC1 | |
| SCHEMBL29323979 | 0.76 | NPC1 (0.46) | KIF11KCNH2ACP3HPGDNPC1 |
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-5854228-A | Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1998-12-29 | — | — | US | disclosed |
| US-5650510-A | VIRICIDES OR ANTITUMOR AGENTS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-07-22 | — | — | US | disclosed |
| EP-0269947-A1 | Antiviral phosphonomethoxyalkylene purine and pyrimidine derivatives | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) | 1988-06-08 | — | — | EP | disclosed |