Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL19274747 | 0.91 | CYP3A4 (0.41) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL20983586 | 0.89 | CYP3A4 (0.39) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL29971193 | 0.89 | CYP3A4 (0.39) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL19259884 | 0.89 | CYP3A4 (0.43) | CYP3A4TSHRATMTDP1LOXL2 | |
| SCHEMBL29972024 | 0.89 | CYP3A4 (0.43) | CYP3A4TSHRATMTDP1LOXL2 | |
| SCHEMBL19259585 | 0.89 | CYP3A4 (0.43) | CYP3A4TSHRATMTDP1LOXL2 | |
| SCHEMBL19259732 | 0.89 | CYP3A4 (0.43) | CYP3A4TSHRATMTDP1LOXL2 | |
| SCHEMBL19259690 | 0.87 | CYP3A4 (0.43) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL19274653 | 0.86 | CYP3A4 (0.41) | CYP3A4TSHRATMTDP1LOXL2 | |
| SCHEMBL19259894 | 0.84 | CYP3A4 (0.48) | CYP3A4TSHRATMTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3416956-B1 | METHYLAMINE DERIVATIVES AS LYSYL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER | THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) | 2024-04-10 | — | — | EP | disclosed |
| EP-3416956-A1 | METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER | The Institute of Cancer Research : The Royal Cancer Hospital (GB) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017141049-A1 | METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2017-08-24 | — | — | WO | disclosed |