Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29414488 | 0.86 | ALDH1A1 (0.41) | EGFRSMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL2621737 | 0.86 | ALDH1A1 (0.41) | EGFRSMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL31314983 | 0.76 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL29796578 | 0.76 | CYP1A2 (0.44) | SMN1; SMN2ALDH1A1MAPTKDM4EMAPK1 | |
| SCHEMBL22074904 | 0.76 | CYP1A2 (0.44) | SMN1; SMN2ALDH1A1MAPTKDM4EMAPK1 | |
| SCHEMBL1500224 | 0.74 | NCF1 (0.55) | NCF1EGFRALDH1A1MAPTKDM4E | |
| SCHEMBL23247898 | 0.73 | EGFR (0.39) | EGFRSMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL23246999 | 0.73 | EGFR (0.43) | NCF1EGFRSMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL1932985 | 0.72 | ALDH1A1 (0.42) | EGFRSMN1; SMN2ALDH1A1MAPTKMT2A | |
| SCHEMBL1932280 | 0.72 | BACE1 (0.57) | NCF1EGFRKMT2AHTTDYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021074279-A1 | SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-22 | — | — | WO | disclosed |
| WO-2021074279-A1 | SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-22 | — | — | WO | disclosed |