Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7412853 | 1.00 | SIGMAR1 (0.49) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL16359786 | 0.75 | SIGMAR1 (0.60) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL16359488 | 0.75 | SIGMAR1 (0.60) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL19390631 | 0.75 | SIGMAR1 (0.60) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL7414005 | 0.74 | SIGMAR1 (0.46) | SIGMAR1CHRM5CHRM1CHRM3DRD3 | |
| SCHEMBL7414002 | 0.74 | SIGMAR1 (0.46) | SIGMAR1CHRM5CHRM1CHRM3DRD3 | |
| SCHEMBL9466894 | 0.73 | SIGMAR1 (0.45) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL2621398 | 0.71 | SIGMAR1 (0.55) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL1058888 | 0.70 | SIGMAR1 (0.60) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 | |
| SCHEMBL19525620 | 0.70 | SIGMAR1 (0.57) | SIGMAR1CCR5ALDH1A1CHRM5CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5276026-A | Tetrahydroethanonaphthaleneamine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1994-01-04 | — | — | US | disclosed |