Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8046313 | 0.92 | ALDH1A1 (0.35) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL8042548 | 0.89 | TRPM8 (0.34) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL8044714 | 0.81 | RAB9A (0.34) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL8049983 | 0.80 | RXRA (0.39) | ALDH1A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL8034002 | 0.80 | LOXL2 (0.32) | RECQL | |
| SCHEMBL8037025 | 0.79 | MEN1 (0.37) | — | |
| SCHEMBL8045984 | 0.79 | MAPK8 (0.51) | ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL8043914 | 0.75 | — | — | |
| SCHEMBL8045169 | 0.75 | — | — | |
| SCHEMBL8033274 | 0.75 | FBP1 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT |
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 |