Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1270038 | 0.84 | KMT2A (0.53) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL15917236 | 0.77 | TSHR (0.71) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL5342056 | 0.77 | TSHR (0.71) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL14489596 | 0.77 | TSHR (0.71) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL31684034 | 0.77 | TSHR (0.78) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL4555453 | 0.77 | TSHR (0.78) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL14818738 | 0.77 | TSHR (0.71) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL4367399 | 0.77 | TSHR (0.71) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL31684031 | 0.77 | KMT2A (0.87) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL14456672 | 0.77 | TSHR (0.65) | TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2 |
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 |