Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 8/20 | 0.55 |
| ▸ | METAP2 | P50579 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 3/20 | 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 | |
|---|---|---|---|---|
| (3R)-Dunnione SCHEMBL8535310 | 0.75 | NQO1 (0.47) | RAB9ASMN1; SMN2KDM4ETP53CYP1A2 | |
| Thiabendazole SCHEMBL29370729 | 0.74 | METAP1 (1.00) | METAP1METAP2NPC1RAB9ASMN1; SMN2 | |
| (3R)-Dunnione SCHEMBL29468606 | 0.74 | NQO1 (0.63) | NPC1RAB9ASMN1; SMN2KDM4ETP53 | |
| Thiabendazole SCHEMBL19842 | 0.74 | METAP1 (1.00) | METAP1METAP2NPC1RAB9ASMN1; SMN2 | |
| Thiabendazole SCHEMBL625588 | 0.74 | METAP1 (1.00) | METAP1METAP2NPC1RAB9ASMN1; SMN2 | |
| (3R)-Dunnione SCHEMBL103115 | 0.74 | NQO1 (0.63) | NPC1RAB9ASMN1; SMN2KDM4ETP53 | |
| (3R)-Dunnione SCHEMBL8535192 | 0.73 | NQO1 (0.44) | NPC1RAB9ASMN1; SMN2KDM4ECYP1A2 | |
| Thiabendazole SCHEMBL9856779 | 0.73 | METAP1 (0.97) | METAP1METAP2NPC1RAB9ASMN1; SMN2 | |
| Thiabendazole SCHEMBL11218788 | 0.73 | METAP1 (0.97) | METAP1METAP2NPC1RAB9ASMN1; SMN2 | |
| Thiabendazole SCHEMBL7733801 | 0.73 | METAP1 (0.97) | METAP1METAP2NPC1RAB9ASMN1; SMN2 |
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-0861028-A1 | FUNGICIDAL COMPOUNDS (B) | BTG INTERNATIONAL LIMITED (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997016970-A1 | FUNGICIDAL COMPOUNDS (B) | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-05-15 | — | — | WO | disclosed |