Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14417842 | 0.85 | ALDH1A1 (0.31) | ALDH1A1POLBSMOLMNA | |
| SCHEMBL14417825 | 0.82 | L3MBTL1 (0.44) | ALDH1A1POLBLMNAGAAPKM | |
| SCHEMBL14421884 | 0.81 | POLB (0.40) | ALDH1A1POLBLMNAGAAPKM | |
| SCHEMBL27718689 | 0.74 | CA1 (0.44) | ALDH1A1POLBMAPTKDM4E | |
| SCHEMBL8262999 | 0.72 | KDM4E (0.51) | ALDH1A1POLBLMNAGAAL3MBTL1 | |
| SCHEMBL17557668 | 0.71 | SMO (0.33) | ALDH1A1SMOLMNAGAAPKM | |
| SCHEMBL3548641 | 0.71 | SMO (0.33) | SMO | |
| SCHEMBL28894701 | 0.71 | KMT2A (0.44) | ALDH1A1POLBHTR4SMOLMNA | |
| SCHEMBL15451911 | 0.71 | JAK2 (0.40) | SMYD3 | |
| SCHEMBL16996872 | 0.69 | CYP2D6 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7268150-B2 | 2-cyano-4-fluoropyrrolidine derivative or its salt | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-11 | — | — | US | disclosed |
| US-7268150-B2 | 2-cyano-4-fluoropyrrolidine derivative or its salt | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-11 | — | — | US | disclosed |