Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL990102 | 0.86 | MAPT (0.79) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL15691473 | 0.85 | — | — | |
| SCHEMBL18092604 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL6725164 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL22164185 | 0.82 | MAPT (0.55) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL988347 | 0.81 | MAPT (0.87) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1308391 | 0.80 | — | — | |
| SCHEMBL9720 | 0.80 | — | — | |
| SCHEMBL9086 | 0.80 | — | — | |
| SCHEMBL4943872 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101798279-B | Method for preparing iron-catalyzed pyrrole and pyrrole cyclic compounds | UNIV NORTHEAST NORMAL | 2011-08-31 | — | — | CN | claimed |
| CN-101798279-A | Method for preparing iron-catalyzed pyrrole and pyrrole cyclic compounds | UNIV NORTHEAST NORMAL | 2010-08-11 | — | — | CN | claimed |
| CN-101798279-B | Method for preparing iron-catalyzed pyrrole and pyrrole cyclic compounds | UNIV NORTHEAST NORMAL | 2011-08-31 | — | — | CN | disclosed |
| CN-101798279-A | Method for preparing iron-catalyzed pyrrole and pyrrole cyclic compounds | UNIV NORTHEAST NORMAL | 2010-08-11 | — | — | CN | disclosed |