Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 2/20 | 0.39 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27887158 | 0.82 | LMNA (0.52) | CES2CES1MC4RSMN1; SMN2CHRNB2 | |
| SCHEMBL1248551 | 0.82 | CYP2D6 (0.46) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1248549 | 0.82 | CYP2D6 (0.46) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1227337 | 0.82 | CYP2D6 (0.46) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL404587 | 0.82 | CYP2D6 (0.46) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28087162 | 0.80 | CYP2D6 (0.45) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4303701 | 0.80 | CYP2D6 (0.45) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4303695 | 0.80 | CYP2D6 (0.45) | SLC6A11SMN1; SMN2CHRNB2CHRNB4CHRNA3 | |
| Toluene SCHEMBL27870793 | 0.77 | SLC6A2 (0.40) | RENSLC6A11MC4RSMN1; SMN2HTR2C | |
| SCHEMBL27297309 | 0.73 | HTR2C (0.49) | AKR1C3AKR1C1SMN1; SMN2CHRNB2CHRNB4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102498107-A | Heteroaryl compounds as kinase inhibitors | NOVARTIS AG | 2012-06-13 | — | — | CN | disclosed |
| CN-102482265-A | Pyrazinylpyridines useful for the treatment of proliferative diseases | NOVARTIS AG | 2012-05-30 | — | — | CN | disclosed |
| CN-102471310-A | Bipyridines useful for the treatment of proliferative diseases | NOVARTIS AG | 2012-05-23 | — | — | CN | disclosed |