Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 4/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25326355 | 0.89 | SIRT1 (0.36) | ALDH1A1SIRT1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL25324883 | 0.89 | CBLB (0.33) | BRD4CYP3A4CYP2D6SCD5CYP2C19 | |
| SCHEMBL25323137 | 0.83 | CYP3A4 (0.30) | CYP3A4CYP2D6 | |
| SCHEMBL25326089 | 0.83 | NR3C1 (0.34) | CNR2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL25325561 | 0.80 | DRD3 (0.42) | ALDH1A1 | |
| SCHEMBL25324739 | 0.79 | KMT2A (0.45) | ALDH1A1KCNH2NPC1RAB9ACYP2D6 | |
| SCHEMBL25326091 | 0.79 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL27150741 | 0.78 | MGLL (0.51) | ALDH1A1BRD4HRH2HRH1CCR3 | |
| SCHEMBL25326561 | 0.77 | ALPI (0.35) | ALDH1A1MGLL | |
| SCHEMBL30553160 | 0.77 | CD274 (0.33) | CYP3A4CYP2D6CYP2C19MGLL |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250099448-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2025-03-27 | — | — | US | claimed |
| EP-4469446-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2024-12-04 | — | — | EP | claimed |
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | claimed |
| US-20250099448-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2025-03-27 | — | — | US | disclosed |
| EP-4469446-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2024-12-04 | — | — | EP | disclosed |
| WO-2023144160-A1 | NEW HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2023-08-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20250099448-A1 | HETEROCYCLIC COMPOUNDS | OPRM1, CYP1A1, CYP3A4 | ALDH1A1 411/4885BRD4 419/4885HRH2 241/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.