Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | EBP | Q15125 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892577 | 0.87 | TACR1 (0.39) | SIGMAR1OPRK1GAAOPRM1KMT2A | |
| Iodide SCHEMBL8891218 | 0.85 | TACR1 (0.36) | GAAOPRM1KMT2ATACR1 | |
| Bromide SCHEMBL8890170 | 0.85 | ALDH1A1 (0.37) | SIGMAR1KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL8891331 | 0.84 | TACR1 (0.39) | LMNATSHRKMT2ATACR1 | |
| Bromide SCHEMBL8891469 | 0.83 | TACR1 (0.35) | SIGMAR1LMNAKCNH2KDM4EALDH1A1 | |
| Bromide SCHEMBL8891355 | 0.81 | ALDH1A1 (0.38) | SIGMAR1KDM4EALDH1A1GAAKMT2A | |
| Bromide SCHEMBL8890180 | 0.80 | TACR1 (0.38) | LMNAOPRK1KDM4EALDH1A1GAA | |
| Bromide SCHEMBL8890802 | 0.79 | TACR1 (0.33) | SIGMAR1KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL8890274 | 0.78 | TACR1 (0.42) | TACR1 | |
| SCHEMBL8891554 | 0.77 | TACR1 (0.39) | OPRK1OPRM1TACR1DRD4 |
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-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | disclosed |