Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.34 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25828171 | 0.82 | NPC1 (0.46) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL25825967 | 0.78 | ENPP1 (0.58) | ENPP1STING1TBK1 | |
| SCHEMBL25828164 | 0.74 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL25830615 | 0.72 | ENPP1 (0.40) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL25825966 | 0.72 | STING1 (0.55) | ENPP1STING1TBK1 | |
| SCHEMBL24175617 | 0.71 | PTGER4 (0.46) | NPC1RAB9AMEN1KMT2APTGER4 | |
| SCHEMBL25828154 | 0.70 | STING1 (0.57) | ENPP1STING1TBK1 | |
| SCHEMBL23346477 | 0.70 | KMT2A (0.41) | KMT2ASTING1TBK1 | |
| SCHEMBL25830733 | 0.69 | KDM4E (0.33) | MEN1KMT2AHPGDATMENPP1 | |
| SCHEMBL25826658 | 0.68 | ENPP1 (0.41) | ENPP1STING1 |
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 |