Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | CLK3 | P49761 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29875201 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL11455387 | 0.81 | CYP3A4 (0.41) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL11161631 | 0.81 | CYP3A4 (0.41) | CYP3A4CYP1A2PKMALOX15NFKB1 | |
| SCHEMBL5398528 | 0.77 | LOXL2 (0.43) | CYP3A4MAPTKDM4ESMN1; SMN2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL5385071 | 0.76 | MAPT (0.46) | CYP3A4MAPTKDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL29875339 | 0.73 | HRH3 (0.43) | PKMMAPTCA12CA1CA2 | |
| SCHEMBL3524593 | 0.73 | IDO1 (0.56) | CYP3A4CYP1A2IDO1MAPTLMNA | |
| SCHEMBL28958238 | 0.73 | HRH3 (0.43) | PKMMAPTCA12CA1CA2 | |
| SCHEMBL5398523 | 0.72 | ADH1B (0.50) | MAPTKDM4ESMN1; SMN2L3MBTL1CLK4 | |
| SCHEMBL3527963 | 0.71 | CYP1A2 (0.59) | CYP3A4CYP1A2PKMALOX15NFKB1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| US-RE30420-E | DIURETIC, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DE) | 1980-10-21 | — | — | US | disclosed |
| US-4112227-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |
| US-4076943-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-02-28 | — | — | US | disclosed |
| US-4061653-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |
| US-4056533-A | HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |
| US-4000294-A | DIURESIS OR SALURESIS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3992404-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-16 | — | — | US | disclosed |
| US-3952008-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |
| US-3950528-A | HYPOTENSIVE AGENTS, SALURETICS, DIURETICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |