Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.38 |
| ▸ | GRK2 | P25098 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 2/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15898915 | 0.73 | RXRA (0.42) | PTPN2PTPN1PTPN6RXRARXRB | |
| SCHEMBL29316278 | 0.72 | NPBWR1 (0.39) | ROCK2ROCK1METAP2PDK2 | |
| SCHEMBL29315913 | 0.70 | ROCK1 (0.39) | ROCK2ROCK1RXRARXRBRXRG | |
| SCHEMBL29317047 | 0.70 | HTT (0.44) | PTPN2PTPN1PTPN6RXRARXRB | |
| SCHEMBL17276683 | 0.69 | TRPA1 (0.55) | ROCK2ROCK1AKT1AKT2FEN1 | |
| SCHEMBL24896625 | 0.68 | AKT1 (0.42) | ROCK2ROCK1PRMT5GRK2AKT1 | |
| SCHEMBL30847795 | 0.68 | CYP1A2 (0.41) | PTPN2PTPN1PTPN6RXRARXRB | |
| SCHEMBL19920979 | 0.66 | PIN1 (0.47) | ROCK2AKT1AKT2MEN1ALDH1A1 | |
| SCHEMBL6257616 | 0.66 | AKT2 (0.59) | ROCK2PRMT5AKT1AKT2MEN1 | |
| SCHEMBL4051954 | 0.65 | AKT1 (0.54) | ROCK2PRMT5GRK2AKT1AKT2 |
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 |