Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | LDHA | P00338 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.45 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.45 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 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 | |
|---|---|---|---|---|
| SCHEMBL31428653 | 1.00 | ESR1 (0.54) | ESR1ATMLDHATDP1ALDH1A1 | |
| SCHEMBL26634041 | 0.88 | ESR1 (0.63) | ESR1ATMTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL31428564 | 0.88 | ESR1 (0.63) | ESR1ATMTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2706287 | 0.85 | TTR (0.51) | ATMLDHATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2706281 | 0.85 | TTR (0.51) | ATMLDHATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL30634292 | 0.82 | TTR (0.56) | ESR1LDHATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4533808 | 0.78 | SMN1; SMN2 (0.56) | LDHATDP1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL31428688 | 0.78 | RAB9A (0.55) | TDP1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL27850061 | 0.76 | LDHA (0.47) | LDHATDP1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL2706803 | 0.76 | CYP4F2 (0.47) | LDHATDP1ALDH1A1SMN1; SMN2NPC1 |
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 |