Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9069333 | 0.78 | HTR7 (0.59) | KDM4EALDH1A1HTR7HTR1APLD1 | |
| SCHEMBL9690192 | 0.74 | HTR7 (0.65) | KDM4EALDH1A1HTR7HTR1APLD1 | |
| SCHEMBL2225874 | 0.74 | KMT2A (0.57) | KDM4EALDH1A1HTR7HTR1AADRB1 | |
| SCHEMBL10974393 | 0.73 | KMT2A (0.60) | KDM4EALDH1A1HTR7HTR1APLD1 | |
| SCHEMBL9073239 | 0.73 | HTR7 (0.54) | KDM4EALDH1A1HTR7HTR1APLD1 | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL893739 | 0.73 | ALDH1A1 (0.95) | KDM4EALDH1A1HTR7PLD1ADRB1 | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 | 0.73 | ALDH1A1 (0.95) | KDM4EALDH1A1HTR7PLD1ADRB1 | |
| Hydrochloric Acid SCHEMBL3272283 | 0.72 | ALDH1A1 (0.57) | KDM4EALDH1A1HTR7HTR1AADRB1 | |
| Hydrochloric Acid SCHEMBL11161534 | 0.72 | KMT2A (0.58) | KDM4EALDH1A1HTR7HTR1AADRB1 | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL101561 | 0.71 | ALDH1A1 (1.00) | KDM4EALDH1A1HTR7PLD1ADRB1 |
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-4441042-A1 | 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME | Rgenta Therapeutics, Inc. (US) | 2024-10-09 | — | — | EP | disclosed |
| WO-2023102231-A1 | 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME | RGENTA THERAPEUTICS, INC. (US) | 2023-06-08 | — | — | WO | disclosed |