Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.55 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.55 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30572513 | 0.89 | DHODH (0.64) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL30572552 | 0.89 | DHODH (0.64) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL21905211 | 0.89 | DHODH (0.64) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9529962 | 0.89 | CYP3A4 (0.54) | CYP3A4CYP2C9MAOADHODHRAB9A | |
| SCHEMBL21905333 | 0.86 | DHODH (0.67) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL30572546 | 0.86 | DHODH (0.67) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL4825999 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5679297 | 0.83 | CYP3A4 (0.56) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL5486395 | 0.81 | CTSV (0.61) | CYP2C9MAOADHODHRAB9ANPC1 | |
| SCHEMBL24510733 | 0.81 | MMP9 (0.64) | CYP3A4CYP2E1CYP2C8CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024019541-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | 일동제약(주) | 2024-01-25 | — | — | WO | disclosed |
| EP-0266326-B1 | NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS | Aktiebolaget Hässle (SE) | 1993-03-10 | — | — | EP | disclosed |
| US-5106862-A | DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS | AKTIEBOLAGET HASSLE (SE) | 1992-04-21 | — | — | US | disclosed |
| EP-0266326-A1 | Novel derivatives of benzimidazoles active as anti-ulcer agents | Aktiebolaget Hässle (SE) | 1988-05-04 | — | — | EP | disclosed |