Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4969176 | 0.76 | KMT2A (0.39) | ALDH1A1MEN1KMT2AGPR35TMPRSS4 | |
| SCHEMBL29316655 | 0.74 | CES2 (0.42) | ALDH1A1MEN1KMT2ATMPRSS4MAPT | |
| SCHEMBL7520231 | 0.73 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2AGPR35CA12 | |
| SCHEMBL391593 | 0.71 | CES2 (0.45) | ALDH1A1GPR35CA1CA2CES2 | |
| SCHEMBL194876 | 0.70 | MEN1 (0.62) | ALDH1A1MEN1KMT2AGRIK1 | |
| Hydrochloric Acid SCHEMBL9004750 | 0.69 | MEN1 (0.60) | ALDH1A1MEN1KMT2AGRIK1 | |
| SCHEMBL5118478 | 0.69 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2ACA12CA1 | |
| SCHEMBL14880120 | 0.68 | CES2 (0.50) | ALDH1A1KMT2ACES2 | |
| SCHEMBL4971330 | 0.66 | PTPN5 (0.41) | ALDH1A1MEN1KMT2ACA12CA1 | |
| SCHEMBL7524681 | 0.66 | EPHX2 (0.78) | ALDH1A1MEN1KMT2ACA12CA1 |
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 |