Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 7/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL28436495 | 0.89 | NPSR1 (0.39) | NPSR1IDO1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28444869 | 0.87 | NPSR1 (0.43) | NPSR1IDO1KMT2AMEN1KDM4E | |
| SCHEMBL28439110 | 0.85 | ALDH1A1 (0.43) | NPSR1IDO1KMT2AMEN1ALDH1A1 | |
| SCHEMBL23658938 | 0.80 | IDO1 (0.57) | IDO1KMT2AMEN1ATMPKM | |
| SCHEMBL28443050 | 0.80 | IDO1 (0.48) | IDO1KMT2AMEN1RAB9ANPC1 | |
| SCHEMBL28897469 | 0.78 | IDO1 (0.45) | NPSR1IDO1KMT2AMEN1KDM4E | |
| SCHEMBL28439109 | 0.77 | IDO1 (0.48) | NPSR1IDO1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL28447761 | 0.77 | ALDH1A1 (0.38) | NPSR1IDO1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28439164 | 0.75 | IDO1 (0.41) | NPSR1IDO1ALDH1A1RAB9ANPC1 | |
| SCHEMBL23663507 | 0.74 | KDM4E (0.43) | NPSR1KMT2AMEN1KDM4EALDH1A1 |
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 |