Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | EBP | Q15125 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7971835 | 0.94 | SIGMAR1 (0.45) | SIGMAR1EBPOPRM1OPRK1CYP3A4 | |
| SCHEMBL7955981 | 0.92 | SIGMAR1 (0.43) | SIGMAR1EBPBCHEOPRM1OPRK1 | |
| SCHEMBL7970875 | 0.90 | SIGMAR1 (0.44) | SIGMAR1EBPBCHEOPRM1OPRK1 | |
| SCHEMBL7958075 | 0.90 | SIGMAR1 (0.44) | SIGMAR1EBPBCHEOPRM1CYP3A4 | |
| SCHEMBL7969049 | 0.90 | SIGMAR1 (0.44) | SIGMAR1EBPBCHEOPRM1OPRK1 | |
| SCHEMBL7973583 | 0.90 | SIGMAR1 (0.46) | SIGMAR1EBPBCHEOPRM1OPRK1 | |
| SCHEMBL7970950 | 0.89 | EBP (0.40) | SIGMAR1EBPBCHEOPRM1CYP3A4 | |
| SCHEMBL7965404 | 0.88 | SIGMAR1 (0.54) | SIGMAR1EBPOPRM1OPRK1CYP3A4 | |
| SCHEMBL7956144 | 0.86 | SIGMAR1 (0.47) | SIGMAR1EBPOPRM1OPRK1CYP3A4 | |
| SCHEMBL7968289 | 0.86 | EBP (0.38) | SIGMAR1EBPBCHEKMT2ATSHR |
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 |