Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL5407009 | 0.89 | RAB9A (0.49) | CYP2C19TSHRPOLBALDH1A1 | |
| SCHEMBL5407015 | 0.89 | RAB9A (0.49) | CYP2C19TSHRPOLBALDH1A1 | |
| SCHEMBL7298690 | 0.87 | NPC1 (0.49) | CYP2C19POLBALDH1A1 | |
| SCHEMBL22987635 | 0.87 | CYP2C19 (0.49) | CYP2C19HDAC2HDAC8HDAC6CNR1 | |
| SCHEMBL1726101 | 0.84 | TSHR (0.59) | TSHRPOLBALDH1A1 | |
| SCHEMBL6138380 | 0.84 | TSHR (0.59) | TSHRPOLBALDH1A1 | |
| SCHEMBL4100480 | 0.83 | CYP2C19 (0.51) | CYP2C19HDAC2HDAC8HDAC6CNR1 | |
| SCHEMBL12899404 | 0.81 | CYP2C19 (0.47) | CYP2C19HDAC2HDAC8HDAC6CNR1 | |
| SCHEMBL12898853 | 0.79 | CYP2C19 (0.46) | CYP2C19HDAC2HDAC8HDAC6CNR1 | |
| SCHEMBL26308203 | 0.78 | CYP2C19 (0.44) | CYP2C19HDAC2HDAC8HDAC6CNR1 |
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-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | claimed |
| CN-114466850-A | [1,2,4] triazolo [1,5-C ] quinazolin-5-amines | 拜耳股份有限公司 | 2022-05-10 | — | — | CN | disclosed |