Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL30847650 | 0.79 | ALOX5 (0.39) | SLC6A4ALDH1A1MEN1KMT2AHTR1A | |
| SCHEMBL15898915 | 0.76 | RXRA (0.42) | SLC6A4ALDH1A1MEN1KMT2AHTR2C | |
| SCHEMBL30847726 | 0.75 | DRD2 (0.38) | ALDH1A1MEN1KMT2APTPN2PTPN1 | |
| SCHEMBL30847657 | 0.75 | SCN5A (0.43) | PTPN2PTPN1PTPN6RXRARXRB | |
| SCHEMBL29317047 | 0.75 | HTT (0.44) | HTTSLC6A4ALDH1A1MEN1KMT2A | |
| SCHEMBL30847704 | 0.73 | AR (0.36) | SLC6A4ALDH1A1MEN1KMT2ARPS6KB1 | |
| SCHEMBL30847744 | 0.73 | AR (0.36) | SLC6A4ALDH1A1MEN1KMT2ARPS6KB1 | |
| SCHEMBL17048680 | 0.73 | SIGMAR1 (0.45) | RXRARXRBRXRGHRH3LTA4H | |
| SCHEMBL12774184 | 0.69 | HTR1A (0.36) | CYP1A2CYP2D6MAPTCYP2C19SMN1; SMN2 | |
| SCHEMBL16046661 | 0.68 | HTR1A (0.74) | MAPTSMN1; SMN2NPSR1SLC6A4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4598901-A1 | PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF | Thomas Jefferson University (US) | 2025-08-13 | — | — | EP | disclosed |
| WO-2024076964-A1 | PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-04-11 | — | — | WO | disclosed |