Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL29978771 | 0.87 | POLB (0.46) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29977870 | 0.87 | TAS1R3 (0.45) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978721 | 0.87 | DGAT1 (0.45) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978296 | 0.86 | NPC1 (0.50) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978228 | 0.86 | CYP3A4 (0.44) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978205 | 0.85 | HDAC4 (0.47) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978115 | 0.85 | DGAT1 (0.40) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978083 | 0.84 | NPC1 (0.47) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978258 | 0.84 | NPC1 (0.52) | NPC1RAB9AHDAC6HDAC8HDAC1 | |
| SCHEMBL29978312 | 0.84 | HDAC6 (0.39) | NPC1RAB9AHDAC6HDAC8HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022234470-A1 | NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI | PI INDUSTRIES LTD. (IN) | 2022-11-10 | — | — | WO | claimed |
| WO-2022234470-A1 | NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI | PI INDUSTRIES LTD. (IN) | 2022-11-10 | — | — | WO | disclosed |