Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9733795 | 0.78 | HTR2A (0.36) | HTR2AALDH1A1TSHRMAPK1ADRA2A | |
| SCHEMBL9733546 | 0.74 | ABCB1 (0.41) | CYP2D6CYP2C19 | |
| SCHEMBL2582726 | 0.74 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1MAPTALOX15TSHR | |
| SCHEMBL2793129 | 0.72 | HTR2A (0.43) | SIGMAR1HTR2AALDH1A1MAPTALOX15 | |
| SCHEMBL21845156 | 0.72 | HTR2A (0.43) | SIGMAR1HTR2AALDH1A1MAPTALOX15 | |
| SCHEMBL14429883 | 0.72 | ALOX15 (0.44) | SIGMAR1ALDH1A1MAPTALOX15TSHR | |
| SCHEMBL1745011 | 0.72 | ALOX15 (0.44) | SIGMAR1ALDH1A1MAPTALOX15TSHR | |
| SCHEMBL700442 | 0.72 | SIGMAR1 (0.40) | SIGMAR1ALDH1A1MAPTALOX15TSHR | |
| SCHEMBL30633028 | 0.71 | SIGMAR1 (0.39) | SIGMAR1ALDH1A1MAPTALOX15TSHR | |
| SCHEMBL3066111 | 0.71 | SIGMAR1 (0.39) | SIGMAR1ALDH1A1MAPTALOX15TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5132307-A | TETRALIN COMPOUNDS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-21 | — | — | US | disclosed |
| EP-0368160-A1 | Tetralin derivatives | MERCK PATENT GmbH (DE) | 1990-05-16 | — | — | EP | disclosed |