Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21746596 | 0.80 | ELANE (0.47) | ALDH1A1MAPTKDM4ECYP3A4SMN1; SMN2 | |
| SCHEMBL21745729 | 0.80 | PRSS1 (0.54) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL13874287 | 0.79 | ALDH1A1 (0.42) | CES2CES1ALDH1A1MAPTKDM4E | |
| SCHEMBL21746470 | 0.79 | ESR1 (0.40) | CA1CA2ALDH1A1MAPTHPGD | |
| SCHEMBL21746471 | 0.79 | NR1I2 (0.49) | PRSS1PLK1ALDH1A1MAPTCYP3A4 | |
| SCHEMBL8294719 | 0.78 | PRSS1 (0.57) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL14141387 | 0.77 | PKM (0.38) | PRSS1PRSS2PRSS3ALDH1A1MAPT | |
| SCHEMBL18871269 | 0.76 | ALOX15 (0.43) | ALDH1A1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL18831379 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHPGDCYP3A4 | |
| SCHEMBL28480552 | 0.73 | PRSS1 (0.55) | PRSS1PRSS2PRSS3CA1CA2 |
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-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |