Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.76 |
| ▸ | EBP | Q15125 | 3/20 | 0.76 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.59 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.59 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 2/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.59 |
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
| ▸ | HTR2C | P28335 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7965685 | 0.90 | SIGMAR1 (0.60) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| SCHEMBL7965523 | 0.88 | SIGMAR1 (0.58) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| SCHEMBL7965554 | 0.88 | SIGMAR1 (0.84) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| SCHEMBL7972054 | 0.88 | EBP (0.57) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| SCHEMBL7971972 | 0.88 | EBP (0.57) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| Levemopamil SCHEMBL51113 | 0.86 | SIGMAR1 (1.00) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| Emopamil SCHEMBL93921 | 0.86 | SIGMAR1 (1.00) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| Emopamil SCHEMBL30127166 | 0.85 | SIGMAR1 (0.97) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| Levemopamil SCHEMBL8668419 | 0.85 | SIGMAR1 (0.97) | SIGMAR1EBPABCB1CYP3A4ABCC1 | |
| SCHEMBL7971990 | 0.85 | SIGMAR1 (0.76) | SIGMAR1EBPABCB1CYP3A4ABCC1 |
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 |