Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.37 |
| ▸ | F7 | P08709 | 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 | |
|---|---|---|---|---|
| SCHEMBL8558452 | 0.91 | HTR2A (0.47) | HTR2AHTR2CHTR2BSRD5A1ALDH1A1 | |
| SCHEMBL8557120 | 0.88 | ALDH1A1 (0.42) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL9756718 | 0.81 | TDP1 (0.35) | HTR2AALDH1A1MAPTRECQLTDP1 | |
| SCHEMBL8557048 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL8320956 | 0.72 | ALDH1A1 (0.42) | HTR2AHTR2CHTR2BSRD5A1ALDH1A1 | |
| SCHEMBL9845300 | 0.68 | TDP1 (0.39) | HTR2AALDH1A1MAPTRECQLTDP1 | |
| Bromide SCHEMBL11392022 | 0.66 | ALDH1A1 (0.47) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL11391317 | 0.66 | ALDH1A1 (0.47) | HTR2AHTR2CHTR2BALDH1A1MAPT | |
| SCHEMBL20504223 | 0.65 | KDM1A (0.50) | ALDH1A1MAPTRECQLTDP1KDM4E | |
| SCHEMBL8318402 | 0.65 | HTR2A (0.48) | HTR2AHTR2CHTR2BSRD5A1ALDH1A1 |
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 |