Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | RXRB | P28702 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MPL | P40238 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8041917 | 0.83 | CTSS (0.44) | CTSS | |
| SCHEMBL8047010 | 0.79 | KIF11 (0.44) | KIF11 | |
| SCHEMBL8042855 | 0.74 | ALDH1A1 (0.45) | — | |
| SCHEMBL8047366 | 0.74 | TAAR1 (0.40) | CYP3A4 | |
| SCHEMBL5547288 | 0.73 | KIF11 (0.72) | KIF11RXRARXRBOPRD1CTSS | |
| SCHEMBL30023786 | 0.73 | KIF11 (0.72) | KIF11RXRARXRBOPRD1CTSS | |
| SCHEMBL27659191 | 0.71 | KIF11 (0.76) | KIF11RXRARXRBOPRD1CTSS | |
| SCHEMBL25666511 | 0.70 | KIF11 (0.49) | KIF11RXRARXRBOPRD1CTSS | |
| SCHEMBL25706667 | 0.69 | KIF11 (0.67) | KIF11RXRARXRBOPRD1CTSS | |
| SCHEMBL25616851 | 0.68 | KIF11 (0.55) | KIF11RXRARXRBOPRD1CTSS |
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 |