Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EBP | Q15125 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL7969031 | 0.90 | EBP (0.43) | EBPSIGMAR1PYCR1CYP3A4CYP2D6 | |
| SCHEMBL7972074 | 0.88 | SIGMAR1 (0.46) | EBPSIGMAR1CYP3A4CYP2D6LMNA | |
| SCHEMBL7968615 | 0.88 | EBP (0.46) | EBPSIGMAR1CYP3A4CYP2D6LMNA | |
| SCHEMBL7968642 | 0.88 | EBP (0.46) | EBPSIGMAR1CYP3A4CYP2D6LMNA | |
| SCHEMBL7966962 | 0.87 | EBP (0.41) | EBPSIGMAR1CYP3A4CYP2D6LMNA | |
| SCHEMBL7971946 | 0.87 | EBP (0.43) | EBPSIGMAR1PYCR1CYP3A4CYP2D6 | |
| SCHEMBL7965552 | 0.83 | EBP (0.55) | EBPSIGMAR1PYCR1CYP3A4CYP2D6 | |
| SCHEMBL7967085 | 0.83 | SIGMAR1 (0.49) | EBPSIGMAR1PYCR1CYP3A4CYP2D6 | |
| SCHEMBL7969206 | 0.83 | L3MBTL1 (0.40) | EBPSIGMAR1PYCR1CYP3A4CYP2D6 | |
| SCHEMBL7972392 | 0.83 | EBP (0.38) | EBPSIGMAR1CYP3A4CYP2D6OPRM1 |
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 1 patent. 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 |