Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.44 |
| ▸ | EBP | Q15125 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971832 | 0.94 | SIGMAR1 (0.45) | SIGMAR1EBPPSEN1PSEN2APH1B | |
| SCHEMBL7966797 | 0.92 | SIGMAR1 (0.43) | SIGMAR1EBPBCHEPSEN1PSEN2 | |
| SCHEMBL7958075 | 0.90 | SIGMAR1 (0.44) | SIGMAR1EBPBCHETMEM97KMT2A | |
| SCHEMBL7973937 | 0.90 | SIGMAR1 (0.44) | SIGMAR1EBPBCHETMEM97HTT | |
| SCHEMBL7969049 | 0.90 | SIGMAR1 (0.44) | SIGMAR1EBPBCHETMEM97HTT | |
| SCHEMBL7974380 | 0.90 | SIGMAR1 (0.46) | SIGMAR1EBPBCHETMEM97HTT | |
| SCHEMBL7970685 | 0.89 | SIGMAR1 (0.40) | SIGMAR1EBPBCHETMEM97HTT | |
| SCHEMBL7968979 | 0.88 | SIGMAR1 (0.54) | SIGMAR1EBPTMEM97HTTNPSR1 | |
| SCHEMBL7971825 | 0.87 | EBP (0.40) | SIGMAR1EBPBCHEHTTNPSR1 | |
| SCHEMBL7969091 | 0.86 | SIGMAR1 (0.47) | SIGMAR1EBPPSEN1PSEN2APH1B |
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 |