Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9845300 | 0.87 | TDP1 (0.39) | TDP1ALDH1A1MAPTRECQLKDM4E | |
| SCHEMBL8557048 | 0.83 | ALDH1A1 (0.40) | TDP1ALDH1A1MAPTRECQLKDM4E | |
| SCHEMBL8558452 | 0.82 | HTR2A (0.47) | TDP1ALDH1A1MAPTRECQLKDM4E | |
| SCHEMBL8557120 | 0.82 | ALDH1A1 (0.42) | TDP1ALDH1A1MAPTRECQLKDM4E | |
| SCHEMBL8561575 | 0.81 | HTR2A (0.40) | TDP1ALDH1A1MAPTRECQLKDM4E | |
| SCHEMBL27497035 | 0.79 | MEN1 (0.35) | MEN1HRH1EDNRBEDNRA | |
| SCHEMBL27416395 | 0.78 | MEN1 (0.39) | TDP1ALDH1A1MAPTRECQLMEN1 | |
| SCHEMBL28231239 | 0.77 | ALDH1A1 (0.35) | TDP1ALDH1A1MAPTRECQLKDM4E | |
| SCHEMBL27519297 | 0.75 | MEN1 (0.35) | MEN1LMNA | |
| SCHEMBL6112614 | 0.73 | MEN1 (0.38) | TDP1MEN1KDM1AHRH1HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |