Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1131597 | 0.80 | PTGS1 (0.56) | MAPTEPHX1CXCR1CXCR2ALDH1A1 | |
| SCHEMBL11304060 | 0.79 | LOXL2 (0.50) | CYP3A4MAPTEPHX1CXCR1CXCR2 | |
| SCHEMBL19387248 | 0.78 | ALDH1A1 (0.54) | IDO1CYP3A4MAPTEPHX1CXCR1 | |
| SCHEMBL29034848 | 0.77 | EPHX1 (0.46) | MAPTEPHX1CXCR1CXCR2ALDH1A1 | |
| SCHEMBL11617941 | 0.77 | IDO1 (0.52) | IDO1CYP3A4MAPTALDH1A1LMNA | |
| SCHEMBL24246307 | 0.77 | ALDH1A1 (0.43) | EPHX1CXCR1CXCR2ALDH1A1CHRM1 | |
| SCHEMBL16869918 | 0.77 | SIGMAR1 (0.50) | EPHX1CXCR1CXCR2ALDH1A1CHRM1 | |
| SCHEMBL24246167 | 0.77 | ALDH1A1 (0.43) | EPHX1CXCR1CXCR2ALDH1A1CHRM1 | |
| SCHEMBL5174938 | 0.77 | PTGS1 (0.54) | MAPTEPHX1CXCR1CXCR2ALDH1A1 | |
| SCHEMBL17108794 | 0.77 | TBXAS1 (0.48) | IDO1CYP3A4MAPTCXCR1CXCR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-3950528-A | HYPOTENSIVE AGENTS, SALURETICS, DIURETICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |