Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 3/20 | 0.36 |
| ▸ | HTR7 | P34969 | 4/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL315719 | 1.00 | GAA (0.36) | GAAMCOLN3KDM1AHTR7HTR1A | |
| SCHEMBL315773 | 0.82 | GAA (0.39) | GAAMCOLN3KDM1AHTR7HTR1A | |
| SCHEMBL315896 | 0.80 | HTR7 (0.39) | GAAMCOLN3KDM1AHTR7HTR1A | |
| SCHEMBL315058 | 0.79 | SIGMAR1 (0.45) | KDM1AKDM4EHTR6 | |
| SCHEMBL2847385 | 0.78 | HTR7 (0.33) | GAAMCOLN3HTR7HTR1AHTR2A | |
| SCHEMBL315800 | 0.77 | HTR1A (0.38) | GAAHTR1ACYP2D6CYP2C19ADRA2A | |
| Iodide SCHEMBL315798 | 0.77 | HTR7 (0.33) | GAAMCOLN3HTR7HTR1AHTR2A | |
| SCHEMBL316500 | 0.75 | GAA (0.41) | GAAMCOLN3KDM1AHTR7HTR1A | |
| SCHEMBL316150 | 0.74 | LMNA (0.42) | GAAMCOLN3KDM1AHTR7HTR1A | |
| Hydrochloric Acid SCHEMBL314663 | 0.74 | GAA (0.40) | GAAMCOLN3KDM1AHTR7HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831159-B1 | TETRALIN AND INDANE DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2010-01-20 | — | — | EP | claimed |