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 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7972393 | 0.89 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EMAOBCYP3A4 | |
| SCHEMBL7965677 | 0.89 | ADRA2B (0.43) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7969394 | 0.88 | SIGMAR1 (0.47) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7969794 | 0.87 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7972165 | 0.87 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7956095 | 0.87 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4EL3MBTL1MAOB | |
| SCHEMBL7968951 | 0.84 | SIGMAR1 (0.58) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7966965 | 0.84 | SIGMAR1 (0.53) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7972606 | 0.83 | SIGMAR1 (0.73) | SIGMAR1EBPL3MBTL1CYP3A4ABCB1 | |
| SCHEMBL7969369 | 0.83 | SIGMAR1 (0.48) | SIGMAR1EBPKDM4EL3MBTL1MAOB |
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 |