Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8046659 | 0.92 | PDK1 (0.54) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8049876 | 0.90 | PDK1 (0.52) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8047843 | 0.87 | PDK1 (0.53) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8043201 | 0.86 | PDK1 (0.52) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8042298 | 0.86 | PDK1 (0.60) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8043098 | 0.85 | PDK1 (0.56) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8043965 | 0.84 | PDK1 (0.50) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8044472 | 0.83 | PDK1 (0.56) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8043966 | 0.82 | MAPT (0.52) | PDK1HTTSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8041873 | 0.82 | SMN1; SMN2 (0.45) | HTTSMN1; SMN2MAPTALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |