Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | ARG1 | P05089 | 2/20 | 0.43 |
| ▸ | ARG2 | P78540 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 3/20 | 0.39 |
| ▸ | CASP7 | P55210 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | VEGFA | P15692 | 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 | |
|---|---|---|---|---|
| SCHEMBL25540921 | 1.00 | DRD2 (0.46) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL24272883 | 0.89 | DRD2 (0.44) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL25542061 | 0.89 | DRD2 (0.36) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL25541248 | 0.89 | DRD2 (0.36) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL2826704 | 0.85 | ARG1 (0.46) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL2826706 | 0.85 | ARG1 (0.46) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL10064193 | 0.85 | ARG1 (0.46) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL9289311 | 0.83 | DRD2 (0.44) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL14207963 | 0.83 | HDAC8 (0.46) | DRD2HTR2AHTR2CARG1ARG2 | |
| SCHEMBL9288703 | 0.83 | DRD2 (0.44) | DRD2HTR2AHTR2CARG1ARG2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023225252-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-11-23 | — | — | WO | disclosed |
| WO-2023133183-A1 | KRAS INHIBITORS | THERAS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |
| WO-2023133181-A1 | KRAS INHIBITORS | THERAS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |
| WO-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |
| WO-2023004102-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-01-26 | — | — | WO | disclosed |