Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HK1 | P19367 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30522569 | 0.83 | CYP11B2 (0.53) | ALDH1A1CYP11B2CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL16200260 | 0.80 | SMN1; SMN2 (0.39) | ALDH1A1P2RX7LMNAKDM4E | |
| SCHEMBL13683096 | 0.79 | LMNA (0.46) | ALDH1A1CYP11B2CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL16200223 | 0.79 | SMN1; SMN2 (0.41) | ALDH1A1LMNA | |
| SCHEMBL16200063 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP11B2CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL30522602 | 0.77 | CYP11B2 (0.49) | ALDH1A1CYP11B2CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL16200236 | 0.75 | LMNA (0.44) | ALDH1A1LMNAKDM4E | |
| SCHEMBL16200254 | 0.75 | MEN1 (0.47) | ALDH1A1CYP2A6LMNA | |
| SCHEMBL30230959 | 0.75 | CYP11B2 (0.50) | ALDH1A1CYP11B2CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL16200256 | 0.74 | L3MBTL1 (0.45) | ALDH1A1MAOALMNAKDM4EHTT |
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-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |