Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | GAA | P10253 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | PKM | P14618 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | PPARG | P37231 | 10/20 | 0.65 |
| ▸ | PPARA | Q07869 | 8/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6304189 | 1.00 | CYP1A2 (1.00) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL7976627 | 1.00 | CYP1A2 (1.00) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11176723 | 0.95 | CYP1A2 (0.90) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL43054 | 0.88 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL473828 | 0.88 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL127395 | 0.88 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Benzene SCHEMBL27779381 | 0.88 | CYP1A2 (0.78) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL4262556 | 0.88 | CYP1A2 (0.77) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL8363887 | 0.87 | CYP1A2 (0.77) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL10494606 | 0.87 | CYP1A2 (0.77) | CYP1A2GAACYP2C9PKMCYP2C19 |
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-6300352-B1 | FOR THERAPY OF ASTHMA | ASTRAZENECA AB (SE) | 2001-10-09 | — | — | US | disclosed |
| EP-0971892-A1 | NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Astra Pharmaceuticals Limited (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042670-A1 | NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-10-01 | — | — | WO | disclosed |