Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7446193 | 0.91 | GAA (0.38) | CRHBPCRHR2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL7505335 | 0.90 | CYP3A4 (0.35) | CRHBPCRHR2CYP3A4CYP2C19KMT2A | |
| SCHEMBL8492985 | 0.90 | CYP3A4 (0.35) | CRHBPCRHR2CYP3A4CYP2C19KMT2A | |
| SCHEMBL8490497 | 0.87 | ITGB3 (0.40) | CRHBPCRHR2KMT2AMEN1ITGB3 | |
| Hydrochloric Acid SCHEMBL8481921 | 0.86 | ITGB3 (0.39) | CRHBPCRHR2KMT2AMEN1ITGB3 | |
| Acetic Acid SCHEMBL8476499 | 0.86 | ITGB3 (0.39) | CRHBPCRHR2KMT2AMEN1ITGB3 | |
| Hydrochloric Acid SCHEMBL7438834 | 0.86 | ITGB3 (0.39) | CRHBPCRHR2KMT2AMEN1ITGB3 | |
| Hydrochloric Acid SCHEMBL7446793 | 0.86 | ITGB3 (0.39) | CRHBPCRHR2KMT2AMEN1ITGB3 | |
| Hydrochloric Acid SCHEMBL8488366 | 0.86 | ITGB3 (0.39) | CRHBPCRHR2KMT2AMEN1ITGB3 | |
| SCHEMBL7983484 | 0.85 | ITGB3 (0.46) | CYP3A4CYP2C19KMT2ACYP2C9MEN1 |
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-0729460-B1 | SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE | HOECHST AG (DE) | 2002-05-15 | — | — | EP | disclosed |
| WO-1995014008-A1 | SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-05-26 | — | — | WO | disclosed |