Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16205349 | 0.78 | BRPF1 (0.47) | HPGDCYP1A2CYP2C19RAB9ALMNA | |
| SCHEMBL21024318 | 0.74 | ALDH1A1 (0.35) | HPGDRAB9ALMNAALDH1A1GAA | |
| SCHEMBL19644386 | 0.74 | NR4A2 (0.54) | MAPTHPGDRAB9ALMNAALDH1A1 | |
| SCHEMBL4301614 | 0.71 | CSNK2A1 (0.56) | HPGDCYP1A2CYP2C19ALOX12HTT | |
| SCHEMBL5762528 | 0.70 | MAPT (0.59) | MAPTHPGDCYP1A2CYP2C19ALOX12 | |
| SCHEMBL5762531 | 0.70 | MAPT (0.59) | MAPTHPGDCYP1A2CYP2C19ALOX12 | |
| SCHEMBL19657598 | 0.69 | NR4A2 (0.35) | SMN1; SMN2KDM4E | |
| SCHEMBL19657777 | 0.68 | — | — | |
| SCHEMBL13100627 | 0.67 | HTT (0.44) | MAPTHPGDCYP1A2CYP2C19ALOX12 | |
| SCHEMBL2235 | 0.67 | NPC1 (0.62) | MAPTHPGDPIM1RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9643964-B2 | 3-(2-aminopyrimidin-4-yl)-5-(3-hydroxypropynyl)-1H-pyrrolo[2,3-C]pyridine derivatives as NIK inhibitors for the treatment of cancer | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-09 | — | — | US | disclosed |
| WO-2014174021-A1 | 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-30 | — | — | WO | disclosed |