Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25830721 | 0.83 | KDM4E (0.39) | SMN1; SMN2LMNAHTTENPP1THRB | |
| SCHEMBL25830410 | 0.81 | ENPP1 (0.61) | ENPP1 | |
| SCHEMBL25826029 | 0.69 | ENPP1 (0.72) | ENPP1 | |
| SCHEMBL25828075 | 0.67 | ENPP1 (0.42) | ENPP1 | |
| SCHEMBL25300060 | 0.66 | ENPP1 (0.57) | ENPP1 | |
| SCHEMBL22533754 | 0.66 | KDR (0.42) | SMN1; SMN2CCNT1CDK9HDAC3HDAC4 | |
| SCHEMBL22533820 | 0.66 | HDAC1 (0.49) | DCTPP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL22533848 | 0.66 | KMT2A (0.60) | HDAC1HDAC6KMT2AKDM4E | |
| SCHEMBL30667670 | 0.65 | CCNT1 (0.36) | SMN1; SMN2ENPP1CCNT1CDK9THRB | |
| SCHEMBL24262951 | 0.65 | HTT (0.67) | SMN1; SMN2LMNAHTTMAPK1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |