Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | EEF2K | O00418 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10235408 | 0.65 | CYP1A2 (0.36) | KMT2AALDH1A1ALOX15TDP1CYP1A2 | |
| SCHEMBL21393806 | 0.65 | NOS3 (0.40) | HPGDALDH1A1TSHRHSD17B10CYP1A2 | |
| SCHEMBL13838594 | 0.62 | SMN1; SMN2 (0.56) | HSD17B3HPGDGABRA1GABRG2GABRB3 | |
| SCHEMBL10183000 | 0.62 | CYP1A2 (0.38) | KMT2AALDH1A1ALOX15TDP1CYP1A2 | |
| SCHEMBL3551145 | 0.61 | ALOX15 (0.43) | ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL6106298 | 0.61 | MAPK1 (0.40) | KMT2AALDH1A1TSHRSMN1; SMN2L3MBTL1 | |
| SCHEMBL1979899 | 0.60 | CSNK1D (0.49) | KMT2AHPGDALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL1752323 | 0.60 | GPR35 (0.40) | KMT2AHPGDALDH1A1ALOX15TSHR | |
| SCHEMBL17819955 | 0.60 | GABRA1 (0.47) | HSD17B3KMT2AHPGDALDH1A1ALOX15 | |
| SCHEMBL2281613 | 0.60 | MAPK1 (0.33) | KMT2AALDH1A1ALOX15TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |