Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.41 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27282300 | 1.00 | TSHR (0.52) | TSHRHPGDMAPK1POLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL27285687 | 0.98 | TSHR (0.51) | TSHRHPGDMAPK1POLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL27285688 | 0.98 | TSHR (0.51) | TSHRHPGDMAPK1POLBCYP3A4 | |
| Trifluoroacetic Acid SCHEMBL27279257 | 0.91 | HPGD (0.46) | TSHRHPGDMAPK1POLBCYP3A4 | |
| SCHEMBL7898085 | 0.83 | TSHR (0.56) | TSHRHPGDMAPK1POLBCYP3A4 | |
| SCHEMBL13525013 | 0.80 | TSHR (0.49) | TSHRPOLBALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29789574 | 0.79 | TSHR (0.47) | TSHRHPGDMAPK1POLBALDH1A1 | |
| SCHEMBL9828504 | 0.79 | TSHR (0.52) | TSHRHPGDMAPK1POLBCYP3A4 | |
| SCHEMBL13033929 | 0.79 | TSHR (0.47) | TSHRHPGDMAPK1POLBALDH1A1 | |
| SCHEMBL9828500 | 0.79 | TSHR (0.52) | TSHRHPGDMAPK1POLBCYP3A4 |
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-1039596-A | Preparation method in conjunction with the peptide of retroviral Protease | SMITHKLINE BECKMAN CORP (US) | 1990-02-14 | — | — | CN | disclosed |
| WO-1990000399-A1 | RETROVIRAL PROTEASE BINDING PEPTIDES | SMITHKLINE BECKMAN CORPORATION (US) | 1990-01-25 | — | — | WO | disclosed |