Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL7956537 | 0.89 | SIGMAR1 (0.50) | ADRA2BADRA2CADRA1AOPRK1HTR2A | |
| SCHEMBL7968542 | 0.88 | ADRA1A (0.43) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7972427 | 0.88 | SIGMAR1 (0.39) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7968443 | 0.87 | EBP (0.38) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7966152 | 0.86 | BCHE (0.41) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7966372 | 0.86 | ADRA2B (0.43) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7968778 | 0.86 | ADRA2B (0.43) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7967723 | 0.84 | BCHE (0.43) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7967090 | 0.84 | ADRA2B (0.41) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 | |
| SCHEMBL7966577 | 0.84 | SIGMAR1 (0.49) | ADRA2BADRA2CADRA1AOPRK1SLC6A2 |
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-6265439-B1 | Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives | G.D. SEARLE & CO. | 2001-07-24 | — | — | US | disclosed |
| US-5451604-A | Useful in organ transplant surgery | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |