Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5225847 | 0.88 | CYP2D6 (0.50) | CYP2C9PKMCYP2C19MAPTCYP3A4 | |
| SCHEMBL1964866 | 0.88 | CYP2D6 (0.50) | CYP2C9PKMCYP2C19MAPTCYP3A4 | |
| SCHEMBL1712339 | 0.88 | CYP2D6 (0.50) | CYP2C9PKMCYP2C19MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL1967435 | 0.86 | KMT2A (0.48) | CYP2C9PKMCYP2C19MAPTCYP3A4 | |
| SCHEMBL31173416 | 0.80 | FOLH1 (0.55) | CYP1A2GAACYP2C9CYP2C19MAPT | |
| SCHEMBL15787345 | 0.80 | LMNA (0.44) | GAASMN1; SMN2 | |
| SCHEMBL5427932 | 0.80 | FOLH1 (0.55) | CYP1A2GAACYP2C9CYP2C19MAPT | |
| SCHEMBL15787299 | 0.80 | LMNA (0.44) | GAASMN1; SMN2 | |
| SCHEMBL6714743 | 0.80 | FOLH1 (0.55) | CYP1A2GAACYP2C9CYP2C19MAPT | |
| SCHEMBL558020 | 0.78 | HDAC3 (0.46) | GAACYP2C9CYP2C19CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |