Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19274638 | 0.91 | ALDH1A1 (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19259938 | 0.91 | CYP3A4 (0.45) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19259597 | 0.89 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL29970991 | 0.89 | ALDH1A1 (0.44) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL28643938 | 0.89 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19259738 | 0.88 | ALDH1A1 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19259587 | 0.88 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19259973 | 0.87 | CYP3A4 (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19259872 | 0.87 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19260185 | 0.86 | CYP3A4 (0.46) | CYP3A4TSHRTDP1ATMALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |