Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL8560551 | 0.92 | MEN1 (0.37) | MEN1HDAC9KIF11CXCR5CYP1A2 | |
| SCHEMBL8561279 | 0.89 | KIF11 (0.37) | MEN1HDAC9KIF11EDNRBEDNRA | |
| SCHEMBL8557623 | 0.84 | MEN1 (0.36) | MEN1HDAC9KIF11EDNRBEDNRA | |
| SCHEMBL8555341 | 0.76 | ALDH1A1 (0.39) | MEN1HDAC9KIF11EDNRBEDNRA | |
| SCHEMBL8820220 | 0.71 | HTR2A (0.37) | MEN1HTR2AKDM1A | |
| SCHEMBL8819743 | 0.70 | HTR2A (0.36) | MEN1HTR2AKDM1A | |
| SCHEMBL27896757 | 0.69 | ALDH1A1 (0.39) | MEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9845298 | 0.68 | ALDH1A1 (0.60) | MEN1HDAC9EDNRBEDNRAHTR2A | |
| SCHEMBL8820267 | 0.68 | SIGMAR1 (0.40) | MEN1HTR2AKDM1A | |
| SCHEMBL28389144 | 0.68 | OPRM1 (0.50) | EDNRBEDNRA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0538248-B1 | TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO [2,3-B]INDOLE | HOECHST MARION ROUSSEL INC (US) | 1998-02-11 | — | — | EP | claimed |
| US-5665880-A | Method of preparation of physostigmine carbamate derivatives from eseretholes | HOECHST MARION ROUSSEL, INC. (US) | 1997-09-09 | — | — | US | claimed |
| EP-0538248-A4 | — | — | 1994-08-03 | — | — | EP | claimed |
| EP-0538248-A1 | TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO [2,3-B]INDOLE | HOECHST MARION ROUSSEL, INC. (US) | 1993-04-28 | — | — | EP | claimed |
| WO-1992000072-A1 | TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOLE | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-01-09 | — | — | WO | claimed |
| US-5734062-A | USING FORTIFIED HYDROGEN BROMIDE TO DEALKYLATE SUBSTITUTED ESERETHOLES TO ESEROLINES | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-31 | — | — | US | disclosed |
| EP-0538248-B1 | TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO [2,3-B]INDOLE | HOECHST MARION ROUSSEL INC (US) | 1998-02-11 | — | — | EP | disclosed |
| US-5677457-A | REACTING ESERETHOLE WITH LITHIUM BROMIDE AND HYDROBROMIC ACID TO FORM ESEROLINE COMPOUND, TREATING WITH ISOCYANATE OR CARBONYLDIIMIDAZOLE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-14 | — | — | US | disclosed |
| US-5665880-A | Method of preparation of physostigmine carbamate derivatives from eseretholes | HOECHST MARION ROUSSEL, INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0538248-A4 | — | — | 1994-08-03 | — | — | EP | disclosed |
| EP-0538248-A1 | TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO [2,3-B]INDOLE | HOECHST MARION ROUSSEL, INC. (US) | 1993-04-28 | — | — | EP | disclosed |
| WO-1992000072-A1 | TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOLE | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-01-09 | — | — | WO | disclosed |