Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17630492 | 0.79 | KMT2A (0.42) | MAPTALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL20934727 | 0.79 | SLC18A3 (0.40) | MAPTGAAALDH1A1SLC18A3KDM4E | |
| SCHEMBL16795078 | 0.79 | SLC18A3 (0.40) | MAPTGAAALDH1A1SLC18A3KDM4E | |
| SCHEMBL7295263 | 0.76 | POLB (0.56) | MAPTGAAALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL15770521 | 0.74 | MAPT (0.37) | MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL14810722 | 0.74 | QDPR (0.58) | LMNANPC1RAB9ASLC6A4 | |
| SCHEMBL16795094 | 0.73 | LPL (0.42) | SLC18A3 | |
| SCHEMBL14930370 | 0.72 | BTK (0.35) | SLC18A3 | |
| SCHEMBL14916462 | 0.71 | KMT2A (0.66) | MAPTGAAALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5659741 | 0.70 | ALDH1A1 (0.46) | MAPTGAAALDH1A1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3697772-A1 | PYRIMIDINE TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF | Merck Patent GmbH (DE) | 2020-08-26 | — | — | EP | disclosed |
| CN-111247135-A | Pyrimidine T-K/I-K-P inhibitor compound and application thereof | 默克专利股份公司 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019079373-A1 | PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | disclosed |