Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.50 |
| ▸ | EBP | Q15125 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7968797 | 0.89 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EMAOBMEN1 | |
| SCHEMBL7972165 | 0.89 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7971844 | 0.89 | ADRA2B (0.43) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7971974 | 0.88 | SIGMAR1 (0.47) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7969207 | 0.87 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7969794 | 0.87 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7969369 | 0.85 | SIGMAR1 (0.48) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7968645 | 0.84 | SIGMAR1 (0.58) | SIGMAR1EBPKDM4EMEN1GAA | |
| SCHEMBL7972560 | 0.84 | SIGMAR1 (0.53) | SIGMAR1EBPKDM4EMEN1GAA | |
| SCHEMBL7956313 | 0.83 | SIGMAR1 (0.73) | SIGMAR1EBPL3MBTL1MEN1GAA |
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 |