Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5024152 | 0.90 | POLB (0.34) | MAOBCYP1A2TSHRNFKB1MEN1 | |
| SCHEMBL5017586 | 0.88 | MAOB (0.41) | MAOBCYP1A2TSHRNFKB1MEN1 | |
| SCHEMBL5024195 | 0.86 | MAOB (0.47) | MAOBMEN1KMT2APDCD1LG2CD274 | |
| SCHEMBL5015727 | 0.85 | DPP4 (0.50) | MEN1KMT2APDCD1LG2CD274DPP4 | |
| SCHEMBL5017759 | 0.83 | MAOB (0.37) | MAOBCYP1A2ALDH1A1KDM4EMAPT | |
| SCHEMBL5025721 | 0.83 | MAOB (0.37) | MAOBCYP1A2MEN1KMT2AALDH1A1 | |
| SCHEMBL5024304 | 0.81 | DPP4 (0.44) | CYP1A2MEN1KMT2APDCD1LG2CD274 | |
| SCHEMBL5015642 | 0.81 | TACR3 (0.41) | MEN1KMT2APDCD1LG2CD274DPP4 | |
| SCHEMBL5025797 | 0.77 | ALDH1A1 (0.36) | TSHRALDH1A1KDM4ECA12CA1 | |
| SCHEMBL5017397 | 0.68 | MAOB (0.41) | MAOBCYP1A2TSHRALDH1A1KDM4E |
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 4 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 |
| EP-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |