Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HCAR1 | Q9BXC0 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29314469 | 0.76 | CRHR1 (0.38) | HCAR1HSP90AA1CYP1A2MEN1CYP3A4 | |
| SCHEMBL29317047 | 0.74 | HTT (0.44) | HTTHCAR1MEN1KMT2A | |
| SCHEMBL8721128 | 0.73 | HCAR1 (0.55) | HTTHCAR1TDP1CYP1A2MEN1 | |
| SCHEMBL5906422 | 0.71 | HTT (0.69) | HTTTDP1CYP1A2CMA1NOTUM | |
| SCHEMBL31009194 | 0.69 | POLQ (0.44) | HTT | |
| SCHEMBL8718631 | 0.68 | HTT (1.00) | HTTTDP1CYP1A2MEN1MAPT | |
| SCHEMBL30847592 | 0.68 | CMA1 (0.34) | HSP90AA1CYP1A2MEN1CYP3A4MAPT | |
| SCHEMBL391593 | 0.67 | CES2 (0.45) | CES2NOTUM | |
| SCHEMBL29316732 | 0.67 | ALDH1A1 (0.42) | CYP1A2CYP3A4MAPTCYP2C9TSHR | |
| SCHEMBL6174758 | 0.65 | BRD4 (0.46) | HTTTDP1HSP90AA1CYP1A2MEN1 |
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 |