Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.89 |
| ▸ | HPGD | P15428 | 1/20 | 0.89 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6738518 | 0.96 | TSHR (0.96) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL9612077 | 0.94 | TSHR (1.00) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL3936704 | 0.94 | TSHR (1.00) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL735675 | 0.88 | TSHR (0.81) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL1425543 | 0.81 | HPGD (0.66) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL5127258 | 0.81 | TSHR (0.71) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL7239112 | 0.81 | HPGD (0.65) | TSHRHPGDKMT2AALDH1A1MAPT | |
| SCHEMBL3912922 | 0.80 | TSHR (0.69) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL656086 | 0.80 | TSHR (0.69) | TSHRHPGDKMT2ARAB9AALDH1A1 | |
| SCHEMBL4608001 | 0.80 | KMT2A (0.85) | TSHRHPGDKMT2ARAB9AALDH1A1 |
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-106397359-A | Preparation method of almotriptan intermediate 4-(1-pyrrolidyl sulfomethyl)-phenylhydrazine | 重庆华森制药股份有限公司 | 2017-02-15 | — | — | CN | disclosed |