Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.37 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28108385 | 0.80 | KDM4E (0.45) | ALDH1A1MAPTHSD17B10KDM4ENPC1 | |
| SCHEMBL31589324 | 0.75 | ALDH1A1 (0.58) | HSD11B1MAPK14CSNK1DCSNK1ECYP3A4 | |
| SCHEMBL2751007 | 0.73 | CDK2 (0.38) | HSD11B1NPC1MAPK1GSK3BCDK5 | |
| SCHEMBL28725076 | 0.70 | HTR2C (0.35) | ALDH1A1MAPTHSD17B10KDM4ENPC1 | |
| SCHEMBL5780140 | 0.69 | IDO1 (0.43) | HSD11B1MAPK14CYP3A4ALDH1A1NPC1 | |
| SCHEMBL8100099 | 0.69 | TGFBR1 (0.46) | MAPK14CSNK1DALDH1A1MAPTHSD17B10 | |
| SCHEMBL2753034 | 0.69 | KMO (0.44) | NPC1TP53RAB9A | |
| SCHEMBL27779509 | 0.68 | ALDH1A1 (0.48) | HSD11B1MAPK14CSNK1DCSNK1ECYP3A4 | |
| SCHEMBL2752979 | 0.67 | GABRA1 (0.33) | KDM4ENPC1TP53SMN1; SMN2TDP1 | |
| SCHEMBL4006504 | 0.67 | CYP1A2 (0.47) | ALDH1A1MAPTHSD17B10KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023213882-A1 | IRREVERSIBLE MUTEGFR INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-11-09 | — | — | WO | disclosed |