Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 4/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22115151 | 0.78 | STS (0.47) | STSNTRK1ALDH1A1MAPTMMP13 | |
| SCHEMBL1668225 | 0.72 | MEN1 (0.44) | STSTSHRALOX15ATMPOLB | |
| SCHEMBL22115625 | 0.72 | HDAC2 (0.45) | NTRK1POLBMEN1KMT2AGPR119 | |
| SCHEMBL29087384 | 0.71 | MEN1 (0.42) | STSTSHRALOX15ATMPOLB | |
| SCHEMBL17848750 | 0.70 | USP2 (0.47) | TSHRALOX15ATMALDH1A1LMNA | |
| SCHEMBL20137661 | 0.69 | TSHR (0.52) | TSHRALOX15ATMALDH1A1MAPT | |
| SCHEMBL23539292 | 0.69 | USP2 (0.46) | TSHRALOX15ATMALDH1A1LMNA | |
| SCHEMBL408307 | 0.69 | USP2 (0.46) | TSHRALOX15ATMALDH1A1LMNA | |
| SCHEMBL22115313 | 0.68 | HTT (0.48) | STSTSHRALOX15ATMMEN1 | |
| SCHEMBL20224840 | 0.68 | USP2 (0.45) | TSHRALOX15ATMALDH1A1HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |