Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL5086574 | 0.79 | HTR2C (0.44) | — | |
| SCHEMBL15999810 | 0.67 | MAPT (0.56) | LMNAALDH1A1TSHRSMN1; SMN2NPSR1 | |
| SCHEMBL5234134 | 0.65 | CDK8 (0.72) | ALDH1A1HTT | |
| SCHEMBL26608035 | 0.65 | LMNA (0.64) | LMNAALDH1A1TSHRSMN1; SMN2NPSR1 | |
| SCHEMBL31725185 | 0.65 | LMNA (0.64) | LMNAALDH1A1TSHRSMN1; SMN2NPSR1 | |
| SCHEMBL5950061 | 0.64 | ADORA2A (0.40) | ALDH1A1SMN1; SMN2KMT2ACRHR1NPC1 | |
| SCHEMBL30009053 | 0.63 | ATR (0.59) | ATR | |
| SCHEMBL10449664 | 0.63 | KDM4E (0.39) | ALDH1A1MAPTHTTMAPK1POLB | |
| SCHEMBL17368694 | 0.63 | ALDH1A1 (0.63) | LMNAALDH1A1SMN1; SMN2NPSR1MAPT | |
| SCHEMBL30416711 | 0.62 | IKBKB (0.46) | — |
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-1893607-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006135604-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-12-21 | — | — | WO | disclosed |