Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 14/20 | 0.51 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | GLP1R | P43220 | 1/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.51 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28625478 | 0.90 | AVPR2 (0.49) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL533754 | 0.85 | AVPR2 (0.70) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL31344362 | 0.85 | AVPR2 (0.70) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL30354671 | 0.85 | AVPR2 (0.70) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL1291366 | 0.83 | AVPR2 (0.71) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL29776619 | 0.83 | AVPR2 (0.51) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| Hydrochloric Acid SCHEMBL30354670 | 0.83 | AVPR2 (0.70) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL28617462 | 0.82 | AVPR2 (0.75) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL24103986 | 0.81 | AVPR2 (0.53) | AVPR2AVPR1AABCB11ADRB2HTR1A | |
| SCHEMBL30354669 | 0.81 | AVPR2 (0.53) | AVPR2AVPR1AABCB11ADRB2HTR1A |
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-113277980-B | Tolvaptan impurity and preparation method thereof | 南京海纳医药科技股份有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-113277980-A | Tolvaptan impurity and preparation method thereof | 南京海纳医药科技股份有限公司 | 2021-08-20 | — | — | CN | disclosed |