Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 8/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 3/20 | 0.40 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14880120 | 0.81 | CES2 (0.50) | CES2P2RX1P2RX7P2RX4ALDH1A1 | |
| SCHEMBL25574138 | 0.79 | CES2 (0.47) | CES2ALDH1A1KDM4E | |
| SCHEMBL5220850 | 0.78 | CES2 (0.66) | CES2TMPRSS4ALDH1A1ATMGAA | |
| SCHEMBL10577013 | 0.77 | NR5A2 (0.65) | NR5A2NR5A1ALDH1A1GFERGAA | |
| SCHEMBL29316641 | 0.77 | NOTUM (0.51) | CES2P2RX1TMPRSS4GFERGAA | |
| SCHEMBL29316976 | 0.74 | ALDH1A1 (0.48) | CES2TMPRSS4ALDH1A1MAPTMEN1 | |
| SCHEMBL391593 | 0.73 | CES2 (0.45) | CES2ALDH1A1POLB | |
| SCHEMBL10524850 | 0.71 | ALDH1A1 (0.61) | CES2P2RX1P2RX7P2RX4TMPRSS4 | |
| SCHEMBL24209801 | 0.71 | ALDH1A1 (0.53) | CES2P2RX1ALDH1A1ATMKDM4E | |
| SCHEMBL3277286 | 0.71 | GAA (0.61) | CES2P2RX1ALDH1A1GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024147972-A2 | DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-07-11 | — | — | WO | disclosed |