Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | MMP7 | P09237 | 3/20 | 0.48 |
| ▸ | MMP12 | P39900 | 3/20 | 0.48 |
| ▸ | MMP3 | P08254 | 2/20 | 0.48 |
| ▸ | MMP10 | P09238 | 2/20 | 0.48 |
| ▸ | MMP8 | P22894 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769921 | 1.00 | RAB9A (0.54) | RAB9ANPC1MMP7MMP12MMP3 | |
| SCHEMBL27193122 | 0.86 | RAB9A (0.63) | RAB9ANPC1HDAC1OPRK1KDM4E | |
| SCHEMBL26606513 | 0.81 | PCSK9 (0.64) | RAB9ANPC1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL26606466 | 0.81 | NPC1 (0.58) | RAB9ANPC1OPRK1KDM4ESMN1; SMN2 | |
| SCHEMBL30866242 | 0.81 | PCSK9 (0.64) | RAB9ANPC1KDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL30866246 | 0.81 | NPC1 (0.58) | RAB9ANPC1OPRK1KDM4ESMN1; SMN2 | |
| SCHEMBL20333119 | 0.79 | SUCNR1 (0.49) | RAB9AHDAC1HDAC6KDM4ESMN1; SMN2 | |
| SCHEMBL20333146 | 0.79 | MAPK8 (0.51) | RAB9AHDAC1HDAC6KDM4ESMN1; SMN2 | |
| SCHEMBL7623464 | 0.77 | NOD1 (0.46) | MMP7MMP12MMP3MMP10MMP8 | |
| SCHEMBL17066302 | 0.75 | NPC1 (0.62) | RAB9ANPC1KDM4ETSHRSMN1; 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-4269394-A1 | BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2023-11-01 | — | — | EP | disclosed |
| CN-116829542-A | Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient | 韩国化学研究院 | 2023-09-29 | — | — | CN | disclosed |