Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25830733 | 0.86 | KDM4E (0.33) | ENPP1MEN1KMT2AHTTNOD1 | |
| SCHEMBL25826031 | 0.75 | ENPP1 (0.69) | ENPP1 | |
| SCHEMBL25834113 | 0.72 | NPC1 (0.37) | ENPP1MEN1KMT2AKDM4ENPSR1 | |
| SCHEMBL25826032 | 0.70 | ENPP1 (0.69) | ENPP1 | |
| SCHEMBL25435827 | 0.68 | ENPP1 (0.59) | ENPP1 | |
| SCHEMBL25830588 | 0.67 | ENPP1 (0.57) | ENPP1 | |
| SCHEMBL24175617 | 0.65 | PTGER4 (0.46) | MEN1KMT2ARAB9ANPC1 | |
| SCHEMBL25252822 | 0.65 | ENPP1 (0.56) | ENPP1 | |
| SCHEMBL25826584 | 0.65 | STING1 (0.36) | ENPP1HPGDPOLB | |
| SCHEMBL23346477 | 0.64 | KMT2A (0.41) | KMT2ACYP2C9CYP2C19CYP3A4CYP2D6 |
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 |