Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20677321 | 0.78 | DPP4 (0.30) | — | |
| SCHEMBL10629191 | 0.76 | HTT (0.48) | HTTCYP3A4CYP2C19ALDH1A1TSHR | |
| SCHEMBL1090152 | 0.75 | SIGMAR1 (0.54) | SIGMAR1TSHRACHE | |
| SCHEMBL1090149 | 0.75 | SIGMAR1 (0.54) | SIGMAR1TSHRACHE | |
| SCHEMBL1763575 | 0.75 | SIGMAR1 (0.54) | SIGMAR1TSHRACHE | |
| SCHEMBL7697316 | 0.74 | SLC6A2 (0.38) | SIGMAR1ADRB1HTR2C | |
| SCHEMBL1016023 | 0.74 | CA1 (0.45) | CYP2C19ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL1763150 | 0.74 | SIGMAR1 (0.53) | SIGMAR1TSHRACHE | |
| Hydrochloric Acid SCHEMBL3710664 | 0.74 | SIGMAR1 (0.53) | SIGMAR1TSHRACHE | |
| Hydrochloric Acid SCHEMBL1763147 | 0.74 | SIGMAR1 (0.53) | SIGMAR1TSHRACHE |
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-113135922-A | Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof | 中国药科大学 | 2021-07-20 | — | — | CN | claimed |