Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5694688 | 0.80 | ESR1 (0.56) | MAPK1THRBTYRKDM4E | |
| SCHEMBL5694685 | 0.80 | ESR1 (0.56) | MAPK1THRBTYRKDM4E | |
| SCHEMBL3757660 | 0.77 | ALDH1A1 (0.68) | ALDH1A1EGFRPARP10PARP3CYP2A6 | |
| SCHEMBL6577194 | 0.76 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1ALDH1A3PARP10PARP3 | |
| SCHEMBL5807628 | 0.76 | EGFR (0.63) | ALDH1A1EGFRCES2CES1HTT | |
| SCHEMBL12344141 | 0.75 | ALDH1A1 (0.54) | ALDH1A1EGFRPARP10PARP3CYP2A6 | |
| SCHEMBL27891771 | 0.74 | KMT2A (0.51) | ALDH1A1ALDH3A1ALDH1A3PARP10PARP3 | |
| Propionic Acid SCHEMBL28665177 | 0.73 | ALDH1A1 (0.76) | ALDH1A1ALDH3A1ALDH1A3PARP10PARP3 | |
| SCHEMBL29017437 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ALDH3A1ALDH1A3PARP10PARP3 | |
| SCHEMBL27583157 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ALDH3A1ALDH1A3PARP10PARP3 |
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-3218009-B1 | PROCESS FOR THE CONJUGATION OF A PEPTIDE OR PROTEIN WITH A REAGENT COMPRISING A LEAVING GROUP INCLUDING A PORTION OF PEG | POLYTHERICS LTD (GB) | 2021-04-07 | — | — | EP | disclosed |