Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | EBP | Q15125 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | CNR1 | P21554 | 4/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7967279 | 0.89 | SIGMAR1 (0.46) | SIGMAR1EBPKMT2ACNR1CNR2 | |
| SCHEMBL7956301 | 0.89 | SIGMAR1 (0.46) | SIGMAR1EBPKMT2ANR3C1LMNA | |
| SCHEMBL7968620 | 0.89 | SIGMAR1 (0.46) | SIGMAR1EBPKMT2ANR3C1NPC1 | |
| SCHEMBL7968625 | 0.88 | SIGMAR1 (0.47) | SIGMAR1EBPKMT2ALMNAHTT | |
| SCHEMBL7968860 | 0.88 | SIGMAR1 (0.43) | SIGMAR1EBPKMT2ACNR1CNR2 | |
| SCHEMBL7972069 | 0.88 | EBP (0.41) | SIGMAR1EBPKMT2ALMNAHTT | |
| SCHEMBL7966577 | 0.87 | SIGMAR1 (0.49) | SIGMAR1EBPKMT2ALMNAHTT | |
| SCHEMBL7967033 | 0.86 | EBP (0.41) | SIGMAR1EBPKMT2ALMNAHTT | |
| SCHEMBL7956227 | 0.85 | SIGMAR1 (0.45) | SIGMAR1EBPKMT2ACNR1CNR2 | |
| SCHEMBL7968443 | 0.84 | EBP (0.38) | SIGMAR1EBPKMT2APGRMEN1 |
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 |