Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.58 |
| ▸ | KCNJ1 | P48048 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17152939 | 0.89 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL402901 | 0.87 | SIGMAR1 (0.58) | SIGMAR1KCNJ1KCNH2ALDH1A1L3MBTL1 | |
| SCHEMBL27703661 | 0.83 | SIGMAR1 (0.58) | SIGMAR1KCNJ1KCNH2ALDH1A1L3MBTL1 | |
| SCHEMBL5783473 | 0.82 | ENPP2 (0.51) | ALDH1A1SMN1; SMN2POLBLMNAMAPT | |
| SCHEMBL18412526 | 0.82 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL14312120 | 0.81 | KCNJ1 (0.67) | SIGMAR1KCNJ1KCNH2ALDH1A1KDM4E | |
| SCHEMBL17154929 | 0.81 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL17153021 | 0.80 | RXFP1 (0.61) | ALDH1A1L3MBTL1KDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL19847082 | 0.80 | HTR1A (0.47) | SIGMAR1KCNH2 | |
| SCHEMBL17985967 | 0.80 | KCNJ1 (0.63) | SIGMAR1KCNJ1KCNH2SMN1; SMN2 |
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-3126364-B1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2018-02-07 | — | — | EP | disclosed |
| WO-2015150555-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-08 | — | — | WO | disclosed |