Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 7/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 3/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28434275 | 0.92 | IDO1 (0.50) | IDO1MAPTKMT2AMEN1NPSR1 | |
| SCHEMBL28451242 | 0.91 | TRPV1 (0.45) | IDO1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL28897469 | 0.90 | IDO1 (0.45) | IDO1MAPTKMT2AMEN1NPSR1 | |
| SCHEMBL28443516 | 0.85 | RAB9A (0.48) | IDO1MAPTKMT2AMEN1RAB9A | |
| SCHEMBL28897468 | 0.84 | TRPV1 (0.47) | IDO1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL28435093 | 0.83 | IDO1 (0.50) | IDO1MAPTKMT2AMEN1NPSR1 | |
| SCHEMBL28435097 | 0.81 | TRPV1 (0.43) | IDO1MAPTKMT2ASMN1; SMN2RAF1 | |
| SCHEMBL28443050 | 0.81 | IDO1 (0.48) | IDO1MAPTKMT2AMEN1NPC1 | |
| SCHEMBL28448655 | 0.80 | IDO1 (0.54) | IDO1MAPTKMT2AMEN1NPSR1 | |
| SCHEMBL23658938 | 0.78 | IDO1 (0.57) | IDO1KMT2AMEN1RAF1MAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111153846-B | Pyrrole compound, preparation method thereof, pharmaceutical composition and application | CHINA PHARMACEUTICAL UNIVERSITY (CN) | 2021-08-31 | — | — | CN | disclosed |
| CN-111153846-A | Pyrrole compound, preparation method thereof, pharmaceutical composition and application | 中国药科大学 | 2020-05-15 | — | — | CN | disclosed |