Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 5/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21779748 | 0.85 | CHKA (0.65) | CHKATNKSALDH1A1 | |
| SCHEMBL22365070 | 0.85 | CHKA (0.55) | CHKAKDM4ESMN1; SMN2ABCB1ALDH1A1 | |
| SCHEMBL20198126 | 0.85 | CHKA (0.48) | CHKANR1H2KDM4ESMN1; SMN2ABCB1 | |
| SCHEMBL14924465 | 0.81 | KDM4E (0.50) | CHKANR1H2KDM4ESMN1; SMN2MPO | |
| SCHEMBL16121936 | 0.81 | CHKA (0.74) | CHKAKDM4EALDH1A1POLBTDP1 | |
| SCHEMBL10819382 | 0.80 | KDM4E (0.70) | NR1H2KDM4ESMN1; SMN2MPOALDH1A1 | |
| SCHEMBL20198122 | 0.79 | RPS6KA3 (0.45) | CHKAKIT | |
| SCHEMBL18054024 | 0.78 | CHKA (0.59) | CHKATNKSALDH1A1 | |
| SCHEMBL20198110 | 0.78 | CHKA (0.42) | CHKANR1H2MPO | |
| SCHEMBL15542251 | 0.77 | NR1H2 (0.67) | CHKANR1H2KDM4ESMN1; SMN2MPO |
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-3265452-B1 | PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS | Neuprozyme Therapeutics ApS (DK) | 2020-03-04 | — | — | EP | disclosed |