Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | MMP12 | P39900 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | MMP14 | P50281 | 2/20 | 0.36 |
| ▸ | MMP16 | P51512 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1313198 | 1.00 | CYP1A2 (0.42) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9382586 | 0.91 | SMN1; SMN2 (0.41) | CYP1A2CYP2C9CYP2C19MMP13 | |
| SCHEMBL642839 | 0.91 | SMN1; SMN2 (0.41) | CYP1A2CYP2C9CYP2C19MMP13 | |
| SCHEMBL7308442 | 0.88 | KMT2A (0.41) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL7446003 | 0.88 | KMT2A (0.41) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL7439671 | 0.87 | PDCD1 (0.38) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL8364820 | 0.84 | MT-CO2 (0.45) | CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL5846260 | 0.84 | KMT2A (0.40) | CTSSCTSKMMP13 | |
| SCHEMBL1208677 | 0.84 | SMN1; SMN2 (0.37) | CYP2C9CYP2C19CTSSCTSKMMP13 | |
| SCHEMBL10521312 | 0.84 | NR1H2 (0.34) | PAX8MMP2MMP9MMP13MMP1 |
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-5354892-A | Treating cardiovascular disorders; endopeptidase inhibitors; diuretics | CIBA-GEIGY CORPORATION (US) | 1994-10-11 | — | — | US | disclosed |
| EP-0555175-A1 | Biaryl substituted 4-amino-butyric acid amides | CIBA-GEIGY AG (CH) | 1993-08-11 | — | — | EP | disclosed |
| US-5217996-A | Endopeptidase inhibitors | CIBA-GEIGY CORPORATION (US) | 1993-06-08 | — | — | US | disclosed |