Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.74 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | KDR | P35968 | 1/20 | 0.57 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CBX7 | O95931 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.53 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.53 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31134126 | 0.98 | PIN1 (0.75) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134198 | 0.96 | PIN1 (0.70) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134293 | 0.96 | PIN1 (0.70) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134211 | 0.96 | PIN1 (0.69) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134239 | 0.95 | PIN1 (0.68) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134162 | 0.95 | PIN1 (0.68) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134327 | 0.95 | PIN1 (0.68) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134260 | 0.95 | PIN1 (0.68) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134151 | 0.94 | PIN1 (0.67) | PIN1USP2HSD17B10KDRTRPV1 | |
| SCHEMBL31134189 | 0.94 | PIN1 (0.67) | PIN1USP2HSD17B10KDRTRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118666757-A | Benzimidazole antitumor compound and preparation method and application thereof | 中国医科大学附属盛京医院 | 2024-09-20 | — | — | CN | claimed |
| CN-118666757-A | Benzimidazole antitumor compound and preparation method and application thereof | 中国医科大学附属盛京医院 | 2024-09-20 | — | — | CN | disclosed |