Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8043567 | 0.85 | PDK1 (0.65) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8043217 | 0.82 | PDK1 (0.61) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8044872 | 0.82 | PDK1 (0.61) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8042394 | 0.82 | PDK1 (0.61) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8050052 | 0.82 | PDK1 (0.61) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8044046 | 0.82 | PDK1 (0.61) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8050623 | 0.81 | PDK1 (0.60) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8044028 | 0.81 | PDK1 (0.56) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8034176 | 0.80 | PDK1 (0.58) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8051755 | 0.80 | PDK1 (0.58) | PDK1ALDH1A1CYP3A4TSHRTDP1 |
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 |