Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MPO | P05164 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 3/20 | 0.46 |
| ▸ | AKT1 | P31749 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | NEK4 | P51957 | 3/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.46 |
| ▸ | PRKG2 | Q13237 | 3/20 | 0.46 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.46 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2234114 | 0.84 | SLC1A2 (0.54) | ALDH1A1GAACA1CA9HPGD | |
| SCHEMBL2236450 | 0.81 | LMNA (0.53) | CYP2C19CYP3A4ALDH1A1ROCK1ROCK2 | |
| SCHEMBL2364024 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| SCHEMBL2238850 | 0.78 | P2RX7 (0.59) | KDM4EALDH1A1GAAHPGDSMN1; SMN2 | |
| SCHEMBL6030061 | 0.75 | MAOA (0.58) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| SCHEMBL2234923 | 0.75 | CA2 (0.55) | EPHX2CA1CA2 | |
| SCHEMBL2240079 | 0.73 | KMT2A (0.48) | KDM4EADORA3ALDH1A1HTTGAA | |
| SCHEMBL2237713 | 0.72 | RAB9A (0.54) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Isoniazid SCHEMBL12264083 | 0.72 | KDM4E (1.00) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| Isoniazid SCHEMBL228 | 0.72 | KDM4E (1.00) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E |
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-2531520-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY | Polyphor AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011095607-A1 | TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY | POLYPHOR AG (CH) | 2011-08-11 | — | — | WO | disclosed |