Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | EBP | Q15125 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7967723 | 0.91 | BCHE (0.43) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7966686 | 0.89 | EBP (0.36) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7972041 | 0.89 | BCHE (0.41) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7971854 | 0.87 | BCHE (0.41) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7956099 | 0.87 | BCHE (0.41) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7965566 | 0.86 | ADRA2B (0.43) | SIGMAR1EBPALDH1A1TSHRLMNA | |
| SCHEMBL7968443 | 0.85 | EBP (0.38) | SIGMAR1EBPALDH1A1TSHRPGR | |
| SCHEMBL7967041 | 0.85 | BCHE (0.39) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7956227 | 0.84 | SIGMAR1 (0.45) | BCHESIGMAR1EBPALDH1A1NPSR1 | |
| SCHEMBL7972289 | 0.84 | EBP (0.40) | BCHESIGMAR1EBPALDH1A1NPSR1 |
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 |