Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R8 | Q9NYW2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SCD | O00767 | 3/20 | 0.35 |
| ▸ | TCF4 | P15884 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28531365 | 0.81 | KCNH2 (0.43) | TAS2R8MAPTJAK2JAK3 | |
| SCHEMBL28522992 | 0.80 | LMNA (0.58) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28517900 | 0.79 | LMNA (0.60) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28522385 | 0.79 | TAS2R8 (0.47) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL21491740 | 0.75 | MAPT (0.44) | LMNAMAPTALDH1A1CREBBP | |
| Hydrochloric Acid SCHEMBL28908803 | 0.74 | KLKB1 (0.44) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28523853 | 0.73 | TAS2R8 (0.45) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28517896 | 0.73 | TAS2R8 (0.54) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28524388 | 0.72 | TAS2R8 (0.44) | TAS2R8LMNAMAPTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28530901 | 0.71 | SCD (0.58) | SCDSCD5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112218865-A | Pteridinone compounds and uses thereof | 沃泰克斯药物股份有限公司 | 2021-01-12 | — | — | CN | disclosed |