Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 2/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3219730 | 0.77 | HPGDS (0.70) | ALDH1A1HSD17B10HPGDSHTTKMT2A | |
| SCHEMBL3219716 | 0.76 | GRIN2B (0.41) | CYP3A4HPGDS | |
| SCHEMBL16554573 | 0.75 | ALOX15 (0.54) | CYP3A4CYP2C19RAB9ANPC1ALOX15 | |
| SCHEMBL4714519 | 0.74 | SLC22A12 (0.66) | METSLC22A12RPS6KA5RAB9ANPC1 | |
| SCHEMBL3224764 | 0.71 | HPGDS (0.55) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGDS | |
| SCHEMBL3217959 | 0.70 | HPGDS (0.52) | RAB9AHPGDS | |
| SCHEMBL11206432 | 0.70 | KMT2A (0.59) | CYP3A4CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL30241905 | 0.69 | SLC22A12 (0.56) | METSLC22A12RPS6KA5SMN1; SMN2 | |
| SCHEMBL288413 | 0.69 | SLC22A12 (0.56) | METSLC22A12RPS6KA5SMN1; SMN2 | |
| SCHEMBL30532842 | 0.68 | SLC22A12 (0.55) | METSLC22A12RPS6KA5SMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-101528215-B | Combination of CHK1 inhibitor and cyclodextrin | ICOS CORP | 2011-10-19 | — | — | CN | disclosed |
| CN-101528215-A | Composition of CHKL inhibitor and cyclodextrin | ICOS CORP (US) | 2009-09-09 | — | — | CN | disclosed |
| CN-1882342-A | Use of CHK1 inhibitors to control cell proliferation | ICOS CORP (US) | 2006-12-20 | — | — | CN | disclosed |