Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1425165 | 1.00 | AHR (0.54) | AHRLMNAALDH1A1TP53CYP3A4 | |
| SCHEMBL432740 | 1.00 | AHR (0.54) | AHRLMNAALDH1A1TP53CYP3A4 | |
| SCHEMBL333123 | 0.85 | CYP3A4 (0.65) | LMNAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL9461723 | 0.85 | CYP3A4 (0.65) | LMNAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL7527708 | 0.85 | CYP3A4 (0.65) | LMNAALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL699666 | 0.82 | AHR (0.74) | AHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL1795502 | 0.82 | AHR (0.74) | AHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL9679426 | 0.82 | AHR (0.74) | AHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL20582895 | 0.82 | AHR (0.74) | AHRLMNAALDH1A1KDM4ECYP1A2 | |
| SCHEMBL9679429 | 0.82 | AHR (0.74) | AHRLMNAALDH1A1KDM4ECYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4273129-A1 | RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2023-11-08 | — | — | EP | disclosed |
| WO-2011069039-A1 | HYDRAZONE AND DIACYL HYDRAZINE COMPOUNDS AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-06-09 | — | — | WO | disclosed |
| EP-0018144-A1 | A process for the preparation of substituted 2-aminopyrazines | ELI LILLY AND COMPANY (US) | 1980-10-29 | — | — | EP | disclosed |
| EP-0017494-A2 | Hydroxyimino-substituted aminoacetonitrile intermediates and their preparation | ELI LILLY AND COMPANY (US) | 1980-10-15 | — | — | EP | disclosed |
| US-4211870-A | FROM AMINOACETONITRILE AND A PHENYL A-HALO OXIME | ELI LILLY AND COMPANY (US) | 1980-07-08 | — | — | US | disclosed |
| US-4199525-A | Hydroxyimino-substituted aminoacetonitriles | ELI LILLY AND COMPANY (US) | 1980-04-22 | — | — | US | disclosed |