Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5024158 | 0.83 | TP53 (0.41) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| SCHEMBL5025819 | 0.74 | DHODH (0.46) | KDM4ELMNANR4A2DHODH | |
| SCHEMBL5025775 | 0.71 | HSD17B1 (0.45) | TP53CYP1A2HSD17B10KDM4EMEN1 | |
| SCHEMBL68335 | 0.69 | NR4A1 (0.61) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| SCHEMBL29599514 | 0.69 | NR4A1 (0.61) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL21173945 | 0.68 | NR4A1 (0.59) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL28890343 | 0.68 | NR4A1 (0.59) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| SCHEMBL18196201 | 0.65 | MEN1 (0.56) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| SCHEMBL7099574 | 0.64 | NPC1 (0.56) | TP53CYP1A2HSD17B10CYP2C19HIF1A | |
| SCHEMBL69178 | 0.63 | IDO1 (0.71) | CYP1A2HSD17B10CYP2C19KDM4EMEN1 |
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 |