Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7155342 | 0.83 | MEN1 (0.55) | MEN1KMT2AALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL7170813 | 0.81 | MEN1 (0.56) | MEN1KMT2AALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL3594196 | 0.81 | ALDH1A1 (0.47) | MEN1KMT2AALDH1A1CYP3A4CYP1A2 | |
| Fenpiprane SCHEMBL24507 | 0.80 | ALDH1A1 (0.66) | ALDH1A1SIGMAR1SLC6A3CYP2D6KCNA3 | |
| Prozapine SCHEMBL25765 | 0.80 | ALDH1A1 (0.66) | ALDH1A1SIGMAR1SLC6A3CYP2D6KCNA3 | |
| SCHEMBL8797651 | 0.80 | KMT2A (0.49) | MEN1KMT2AALDH1A1 | |
| SCHEMBL6009479 | 0.79 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1SIGMAR1SLC6A3 | |
| SCHEMBL5757757 | 0.79 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1SIGMAR1SLC6A3 | |
| Fenpiprane SCHEMBL11585426 | 0.79 | ALDH1A1 (0.64) | MEN1KMT2AALDH1A1SIGMAR1CYP3A4 | |
| Prozapine SCHEMBL365642 | 0.79 | ALDH1A1 (0.64) | MEN1KMT2AALDH1A1SIGMAR1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569934-B1 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-23 | — | — | EP | disclosed |