Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5017745 | 0.88 | MAOB (0.36) | MAOBCYP1A2TSHRNFKB1KMT2A | |
| SCHEMBL5017759 | 0.87 | MAOB (0.37) | MAOBCYP1A2POLBNQO2CA12 | |
| SCHEMBL5024195 | 0.83 | MAOB (0.47) | MAOBKMT2AMEN1PDCD1LG2CD274 | |
| SCHEMBL5025721 | 0.83 | MAOB (0.37) | MAOBCYP1A2KMT2AMEN1POLB | |
| SCHEMBL5024152 | 0.81 | POLB (0.34) | MAOBCYP1A2TSHRNFKB1KMT2A | |
| SCHEMBL5015727 | 0.80 | DPP4 (0.50) | KMT2AMEN1POLBPDCD1LG2CD274 | |
| SCHEMBL5015642 | 0.80 | TACR3 (0.41) | KMT2AMEN1POLBPDCD1LG2CD274 | |
| SCHEMBL5025797 | 0.77 | ALDH1A1 (0.36) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL5024304 | 0.76 | DPP4 (0.44) | CYP1A2KMT2AMEN1PDCD1LG2CD274 | |
| SCHEMBL4297526 | 0.68 | CHEK1 (0.57) | MAOBCYP1A2TSHRNFKB1KMT2A |
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-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | claimed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | claimed |