Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | EBP | Q15125 | 2/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | UBE2M | P61081 | 1/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 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 | |
|---|---|---|---|---|
| SCHEMBL7956606 | 0.91 | SIGMAR1 (0.47) | SIGMAR1EBPTMEM97SLC6A4KCNH2 | |
| SCHEMBL7968875 | 0.90 | SIGMAR1 (0.45) | SIGMAR1EBPMTORPTGESTMEM97 | |
| SCHEMBL7965758 | 0.89 | SIGMAR1 (0.55) | SIGMAR1EBPSLC6A4KCNH2ADRA2B | |
| SCHEMBL7956144 | 0.89 | SIGMAR1 (0.47) | SIGMAR1EBPTMEM97SLC6A4KCNH2 | |
| SCHEMBL7969091 | 0.89 | SIGMAR1 (0.47) | SIGMAR1EBPPTGESTMEM97SLC6A4 | |
| SCHEMBL7966287 | 0.89 | EBP (0.41) | SIGMAR1EBPMTORPTGESUBE2M | |
| SCHEMBL7967345 | 0.88 | SIGMAR1 (0.43) | SIGMAR1EBPMTORPTGESTMEM97 | |
| SCHEMBL7956116 | 0.88 | SIGMAR1 (0.43) | SIGMAR1EBPMTORPTGESTMEM97 | |
| SCHEMBL7965746 | 0.88 | SIGMAR1 (0.49) | SIGMAR1EBPMTORPTGESTMEM97 | |
| SCHEMBL7971426 | 0.87 | EBP (0.39) | SIGMAR1EBPUBE2MDCUN1D1SLC6A4 |
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 |