Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.52 |
| ▸ | BCR | P11274 | 4/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11099027 | 1.00 | ABL1 (0.52) | ABL1ABCB1BCRDYRK1ANPC1 | |
| SCHEMBL5778859 | 0.86 | CYP1A1 (0.55) | ABL1ABCB1BCRHSD17B1HSD17B2 | |
| SCHEMBL7839219 | 0.81 | CYP1A1 (0.55) | ABL1ABCB1BCRDYRK1AHSD17B1 | |
| SCHEMBL1939273 | 0.81 | ALDH1A1 (0.31) | CYP3A4 | |
| SCHEMBL28095381 | 0.81 | ABL1 (0.47) | ABL1ABCB1BCRDYRK1ANPC1 | |
| SCHEMBL27720539 | 0.81 | ABL1 (0.47) | ABL1ABCB1BCRDYRK1ANPC1 | |
| SCHEMBL7700046 | 0.80 | GSTP1 (0.44) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2154634 | 0.79 | MCL1 (0.41) | RAB9ASMN1; SMN2CA12CA9ACHE | |
| SCHEMBL6029003 | 0.79 | DYRK1A (0.50) | ABL1ABCB1BCRDYRK1ANPC1 | |
| SCHEMBL6019039 | 0.79 | ABL1 (0.46) | ABL1ABCB1BCRDYRK1ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114989079-A | RIPK1 kinase target inhibitor and medical application thereof | 中国药科大学 | 2022-09-02 | — | — | CN | disclosed |