Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7354548 | 0.93 | SIGMAR1 (0.44) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7362679 | 0.90 | ABCB1 (0.43) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7355511 | 0.90 | SIGMAR1 (0.50) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7361735 | 0.90 | SIGMAR1 (0.50) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7359039 | 0.89 | SIGMAR1 (0.41) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7358993 | 0.88 | SIGMAR1 (0.40) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7353845 | 0.88 | SIGMAR1 (0.52) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7355525 | 0.82 | SIGMAR1 (0.44) | ABCB1CYP3A4ABCC1KCNH2TSHR | |
| SCHEMBL7352809 | 0.80 | SIGMAR1 (0.60) | SLC6A4DRD2DRD3CHRM2CYP2D6 | |
| SCHEMBL7359198 | 0.79 | FDPS (0.41) | MEN1KMT2ASLC6A4HTR1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0699182-A1 | CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1996-03-06 | — | — | EP | claimed |
| WO-1995025087-A1 | CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1995-09-21 | — | — | WO | claimed |