Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31317789 | 0.82 | HMGCR (0.65) | HMGCRALDH1A1TSHRKDM4EMAPT | |
| SCHEMBL3833716 | 0.82 | GAA (0.57) | HMGCRGAAALDH1A1TSHRNFKB1 | |
| SCHEMBL26615249 | 0.82 | HMGCR (0.65) | HMGCRALDH1A1TSHRKDM4EMAPT | |
| SCHEMBL20399527 | 0.82 | HMGCR (0.65) | HMGCRALDH1A1TSHRKDM4EMAPT | |
| SCHEMBL16109698 | 0.79 | HSD17B10 (0.61) | HMGCRGAAALDH1A1TSHRNFKB1 | |
| SCHEMBL12904365 | 0.79 | GAA (0.54) | HMGCRGAAALDH1A1TSHRNFKB1 | |
| SCHEMBL15760015 | 0.78 | HSD17B10 (0.57) | HMGCRGAAALDH1A1TSHRNFKB1 | |
| SCHEMBL11793593 | 0.78 | HMGCR (0.81) | HMGCRALOX5GABRA1GABRB2 | |
| SCHEMBL2729269 | 0.78 | GAA (0.53) | HMGCRGAAALDH1A1TSHRNFKB1 | |
| SCHEMBL4023259 | 0.78 | GAA (0.53) | HMGCRGAAALDH1A1TSHRNFKB1 |
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-110790652-A | Imatinib intermediate, synthetic method thereof and intermediate | 南京红杉生物科技有限公司 | 2020-02-14 | — | — | CN | claimed |
| CN-110790652-A | Imatinib intermediate, synthetic method thereof and intermediate | 南京红杉生物科技有限公司 | 2020-02-14 | — | — | CN | disclosed |
| CN-110790652-A | Imatinib intermediate, synthetic method thereof and intermediate | 南京红杉生物科技有限公司 | 2020-02-14 | — | — | CN | disclosed |