Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | EBP | Q15125 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7956099 | 0.91 | BCHE (0.41) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7957575 | 0.90 | EBP (0.38) | BCHESIGMAR1EBPL3MBTL1 | |
| SCHEMBL7973615 | 0.89 | BCHE (0.43) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7966579 | 0.87 | BCHE (0.43) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7967723 | 0.87 | BCHE (0.43) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7971694 | 0.85 | BCHE (0.41) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7973583 | 0.85 | SIGMAR1 (0.46) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7970398 | 0.85 | SIGMAR1 (0.41) | BCHESIGMAR1EBPALDH1A1SMN1; SMN2 | |
| SCHEMBL7968778 | 0.84 | ADRA2B (0.43) | SIGMAR1EBPALDH1A1TSHRADRA2A | |
| SCHEMBL7956305 | 0.84 | EBP (0.38) | SIGMAR1EBPALDH1A1TSHRADRA2B |
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 |