Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.44 |
| ▸ | CA1 | P00915 | 8/20 | 0.38 |
| ▸ | CA2 | P00918 | 8/20 | 0.38 |
| ▸ | CA9 | Q16790 | 8/20 | 0.38 |
| ▸ | CA4 | P22748 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8032855 | 0.86 | PTGS2 (0.41) | PTGS2CA1CA2CA9CA4 | |
| SCHEMBL8043940 | 0.84 | ALDH1A1 (0.43) | KMT2AALDH1A1LMNATP53MAPT | |
| SCHEMBL8041878 | 0.82 | KEAP1 (0.45) | PTGS2CA1CA2CA9CA4 | |
| SCHEMBL8052220 | 0.82 | ALDH1A1 (0.54) | KMT2AALDH1A1LMNATP53MAPT | |
| SCHEMBL8034305 | 0.81 | KMT2A (0.51) | KMT2AALDH1A1LMNATP53MAPT | |
| SCHEMBL8044786 | 0.80 | ALDH1A1 (0.42) | KMT2AALDH1A1LMNATP53MAPT | |
| SCHEMBL8042684 | 0.80 | ALDH1A1 (0.53) | PTGS2CA1CA2CA9CA4 | |
| SCHEMBL8042640 | 0.79 | MAPT (0.44) | PTGS2KMT2AALDH1A1LMNATP53 | |
| SCHEMBL8048499 | 0.79 | KDM4E (0.49) | KMT2AALDH1A1LMNATP53MAPT | |
| SCHEMBL8032472 | 0.78 | PTGS2 (0.48) | PTGS2CA1CA2CA9CA4 |
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 |