Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL22917361 | 0.83 | CXCR4 (0.56) | CXCR4CHRM2KMT2AMEN1HPGD | |
| SCHEMBL29609887 | 0.81 | CXCR4 (0.54) | CXCR4KMT2AMEN1LTA4H | |
| SCHEMBL14866687 | 0.81 | L3MBTL1 (0.46) | KMT2AMEN1ALDH1A1LTA4HSMN1; SMN2 | |
| SCHEMBL18088394 | 0.79 | RAB9A (0.60) | CXCR4CHRM2KMT2AMEN1HPGD | |
| SCHEMBL9906707 | 0.77 | CXCR4 (0.51) | CXCR4CHRM2KMT2AMEN1HPGD | |
| SCHEMBL20625943 | 0.76 | CXCR4 (0.53) | CXCR4CHRM2KMT2AMEN1HPGD | |
| SCHEMBL14871007 | 0.76 | ACHE (0.39) | CXCR4KMT2AMEN1ALDH1A1LTA4H | |
| SCHEMBL11862227 | 0.75 | CXCR4 (0.51) | CXCR4KMT2AMEN1LTA4H | |
| SCHEMBL13792281 | 0.75 | RAB9A (0.56) | CXCR4CHRM2KMT2AMEN1HPGD | |
| SCHEMBL20804106 | 0.74 | ACHE (0.49) | CHRM2KMT2AMEN1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013049720-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | WO | disclosed |