Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24018806 | 0.81 | CYP2A13 (0.64) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL5269119 | 0.81 | KDM4E (0.56) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL17857222 | 0.81 | CYP2A13 (0.57) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL24783575 | 0.81 | CYP2A13 (0.68) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL4107051 | 0.81 | CYP2A13 (1.00) | CYP2A13ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL19760571 | 0.80 | CYP2A13 (0.50) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| Ammonia Solution, Strong SCHEMBL5275016 | 0.79 | KDM4E (0.55) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL249086 | 0.77 | CYP2A13 (0.61) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL22479885 | 0.77 | CYP2A13 (0.62) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 | |
| SCHEMBL20605347 | 0.77 | ALDH1A1 (0.53) | CYP2A13ALDH1A1KMT2AMEN1CXCR4 |
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-3233862-A1 | IMIDAZOPYRIDAZINE DERIVATIVES AS 3 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097347-A1 | IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-06-23 | — | — | WO | disclosed |