Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | SOD1 | P00441 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319002 | 0.90 | ALDH1A1 (0.43) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL8320956 | 0.88 | ALDH1A1 (0.42) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL8555341 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL8318402 | 0.81 | HTR2A (0.48) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL31505344 | 0.76 | ESR2 (0.46) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL326830 | 0.76 | ESR2 (0.46) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL8557120 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL19454256 | 0.70 | NR3C1 (0.44) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL28231239 | 0.69 | ALDH1A1 (0.35) | ALDH1A1MAPTRECQLTDP1CYP3A4 | |
| SCHEMBL16582899 | 0.69 | DRD2 (0.44) | ALDH1A1MAPTRECQLTDP1CYP3A4 |
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 10 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 |
| EP-0937080-A1 | METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESERETHOLES | HOECHST MARION ROUSSEL, INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998018799-A1 | METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESERETHOLES | HOECHST MARION ROUSSEL, INC. (US) | 1998-05-07 | — | — | WO | disclosed |
| US-5734062-A | USING FORTIFIED HYDROGEN BROMIDE TO DEALKYLATE SUBSTITUTED ESERETHOLES TO ESEROLINES | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-31 | — | — | US | 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 |