Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | P4HB | P07237 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6031030 | 0.90 | RPS6KA3 (0.50) | KDRCYP1A2RPS6KA3JAK3LMNA | |
| SCHEMBL3898497 | 0.90 | RPS6KA3 (0.50) | KDRCYP1A2RPS6KA3JAK3LMNA | |
| SCHEMBL44430 | 0.83 | KDR (0.46) | KDRCYP1A2RPS6KA3JAK3LMNA | |
| SCHEMBL44429 | 0.83 | KDR (0.46) | KDRCYP1A2RPS6KA3JAK3LMNA | |
| SCHEMBL25138544 | 0.78 | RPS6KA3 (0.46) | KDRCYP1A2RPS6KA3JAK3LMNA | |
| SCHEMBL1124018 | 0.77 | LMNA (0.62) | LMNAMAPTPKMALDH1A1HTT | |
| SCHEMBL1124017 | 0.77 | LMNA (0.62) | LMNAMAPTPKMALDH1A1HTT | |
| SCHEMBL1124274 | 0.75 | CYP1A2 (0.72) | KDRCYP1A2HDAC3ADAM17HDAC1 | |
| SCHEMBL1124278 | 0.75 | CYP1A2 (0.72) | KDRCYP1A2HDAC3ADAM17HDAC1 | |
| SCHEMBL27585754 | 0.74 | TSHR (0.42) | RPS6KA3JAK3ALDH1A1CES2 |
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-112601752-A | Novel inhibitors of MAP4K1 | 伊克诺斯科学公司 | 2021-04-02 | — | — | CN | disclosed |
| EP-3630778-A1 | NOVEL INHIBITORS OF MAP4K1 | Ichnos Sciences SA (CH) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018215668-A1 | NOVEL INHIBITORS OF MAP4K1 | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-29 | — | — | WO | disclosed |