Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL29825453 | 0.82 | MAOA (0.44) | DHFRMAOATP53ALDH1A1CYP3A4 | |
| SCHEMBL18604654 | 0.82 | MAOA (0.44) | DHFRMAOATP53ALDH1A1CYP3A4 | |
| SCHEMBL29007292 | 0.77 | CYP3A4 (0.39) | MAOAALDH1A1CYP3A4SMN1; SMN2MAP4K4 | |
| SCHEMBL9877076 | 0.73 | TSHR (0.40) | TP53ALDH1A1TSHR | |
| SCHEMBL10139683 | 0.73 | CYP3A4 (0.42) | MAOATP53ALDH1A1CYP3A4TSHR | |
| SCHEMBL6879404 | 0.73 | ESR1 (0.47) | ESR1TP53ALDH1A1CYP3A4 | |
| SCHEMBL10693144 | 0.72 | DHFR (0.44) | ESR1DHFRTP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL1466819 | 0.72 | MAOA (0.47) | DHFRMAOATP53ALDH1A1CYP3A4 | |
| SCHEMBL1304990 | 0.72 | CYP3A4 (0.41) | MAOATP53ALDH1A1CYP3A4TSHR | |
| SCHEMBL7153294 | 0.70 | DHFR (0.43) | ESR1DHFRTP53ALDH1A1TSHR |
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-3113772-B1 | TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS | BIOCRYST PHARM INC (US) | 2020-09-09 | — | — | EP | disclosed |