Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 3/20 | 0.52 |
| ▸ | XIAP | P98170 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CTSH | P09668 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | CTSD | P07339 | 2/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21555137 | 0.89 | SMN1; SMN2 (0.45) | TDP1SMN1; SMN2ALDH1A1BACE1CTSD | |
| SCHEMBL21012397 | 0.89 | SMN1; SMN2 (0.45) | TDP1SMN1; SMN2ALDH1A1BACE1CTSD | |
| SCHEMBL23921537 | 0.88 | LAP3 (0.46) | XIAPTDP1SMN1; SMN2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL20474490 | 0.88 | SMN1; SMN2 (0.44) | TDP1SMN1; SMN2ALDH1A1BACE1CTSD | |
| Hydrochloric Acid SCHEMBL20474492 | 0.88 | SMN1; SMN2 (0.44) | TDP1SMN1; SMN2ALDH1A1BACE1CTSD | |
| Hydrochloric Acid SCHEMBL21526214 | 0.88 | SMN1; SMN2 (0.44) | TDP1SMN1; SMN2ALDH1A1BACE1CTSD | |
| SCHEMBL21554938 | 0.87 | TDP1 (0.44) | CTSCTDP1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL28519747 | 0.87 | TDP1 (0.44) | CTSCTDP1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL21554937 | 0.87 | TDP1 (0.44) | CTSCTDP1SMN1; SMN2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL21526213 | 0.86 | TDP1 (0.43) | CTSCTDP1SMN1; SMN2ALDH1A1KDM4E |
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-3564211-A1 | DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF | LANDSTEINER GENMED, S.L. (ES) | 2019-11-06 | — | — | EP | disclosed |