Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8557120 | 0.90 | ALDH1A1 (0.42) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL8558452 | 0.85 | HTR2A (0.47) | ALDH1A1CYP3A4MAPTRECQLTDP1 | |
| SCHEMBL9756718 | 0.83 | TDP1 (0.35) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL8561575 | 0.78 | HTR2A (0.40) | ALDH1A1CYP3A4MAPTRECQLTDP1 | |
| SCHEMBL8319002 | 0.70 | ALDH1A1 (0.43) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL9845300 | 0.70 | TDP1 (0.39) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL326830 | 0.66 | ESR2 (0.46) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL31505344 | 0.66 | ESR2 (0.46) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL1202127 | 0.66 | ESR2 (0.41) | ALDH1A1CYP3A4LMNAMAPTRECQL | |
| SCHEMBL27497035 | 0.66 | MEN1 (0.35) | — |
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 4 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 | 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 |