Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 11/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8643850 | 0.98 | TSHR (0.44) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL23007925 | 0.95 | CYP1A2 (0.42) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL22980572 | 0.92 | CYP1A2 (0.44) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL8640882 | 0.91 | TSHR (0.39) | TSHRCYP1A2EPHX2MGAMGAA | |
| Hydrochloric Acid SCHEMBL10803853 | 0.90 | TSHR (0.39) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL8878481 | 0.88 | TSHR (0.46) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL10805041 | 0.86 | SMN1; SMN2 (0.35) | TSHR | |
| SCHEMBL25866514 | 0.85 | CYP1A2 (0.43) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL31327398 | 0.80 | CYP1A2 (0.44) | TSHRCYP1A2EPHX2MGAMGAA | |
| SCHEMBL29186867 | 0.78 | TSHR (0.45) | TSHREPHX2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0667860-B1 | AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1998-08-19 | — | — | EP | disclosed |
| US-5610161-A | 1-AZASPIROALKANE DERIVATIVES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; EATING DISORDERS | THE BOOTS COMPANY PLC (GB) | 1997-03-11 | — | — | US | disclosed |
| EP-0667860-A1 | AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994011346-A1 | AZA SPIRO ALKANES DERIVATIVES AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1994-05-26 | — | — | WO | disclosed |
| EP-0116347-B1 | SUBSTITUTED 1-AZASPIRO(4.5)DECANES AND 1-AZASPIRO(5.5)-UNDECANES, INTERMEDIATES AND A PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1987-07-29 | — | — | EP | disclosed |
| EP-0116347-A1 | Substituted 1-azaspiro(4.5)decanes and 1-azaspiro(5.5)-undecanes, intermediates and a process for their preparation, and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-08-22 | — | — | EP | disclosed |
| WO-1984003090-A1 | SUBSTITUTED 1-AZASPIRO AD4.5 BDDECANES AND 1-AZASPIRO AD5.5 BDUNDECANES | STRUPCZEWSKI JOSEPH T (US) | 1984-08-16 | — | — | WO | disclosed |
| US-4430335-A | FORMATION FROM KETONE AND SODIUM CYANOBOROHYDRIDE | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1984-02-07 | — | — | US | disclosed |