Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | IP6K1 | Q92551 | 6/20 | 0.52 |
| ▸ | IP6K3 | Q96PC2 | 6/20 | 0.52 |
| ▸ | IP6K2 | Q9UHH9 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | RHOA | P61586 | 3/20 | 0.51 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.46 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26634059 | 0.89 | RAB9A (0.59) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL30634270 | 0.81 | NPC1 (0.55) | RAB9AALDH1A1KDM4ECYP3A4GAA | |
| Phenanthridine SCHEMBL28599814 | 0.81 | KDM4E (0.69) | RAB9AALDH1A1LMNARHOAKDM4E | |
| Phenanthridine SCHEMBL29012265 | 0.81 | KDM4E (0.69) | RAB9AALDH1A1LMNARHOAKDM4E | |
| SCHEMBL28362150 | 0.81 | HDAC3 (0.55) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL29993820 | 0.79 | KDM4E (0.56) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL7674470 | 0.77 | RAB9A (0.58) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL7674464 | 0.77 | RAB9A (0.58) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL11816512 | 0.76 | HDAC3 (0.53) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 | |
| SCHEMBL11816511 | 0.76 | HDAC3 (0.53) | RAB9AIP6K1IP6K3IP6K2ALDH1A1 |
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-2023212565-A2 | MOLECULAR EDITING OF MULTIPLE C-H BONDS BY LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-11-02 | — | — | WO | disclosed |