Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8050711 | 0.89 | ALDH1A1 (0.41) | ALDH1A1MAPTRAB9AHPGDUSP2 | |
| SCHEMBL8042804 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDUSP2GAA | |
| SCHEMBL8044231 | 0.86 | HSP90AA1 (0.43) | ALDH1A1MAPTRAB9AHPGDUSP2 | |
| SCHEMBL8048101 | 0.86 | HSP90AA1 (0.42) | ALDH1A1MAPTRAB9AHPGDUSP2 | |
| SCHEMBL8042026 | 0.85 | HSP90AA1 (0.42) | ALDH1A1MAPTRAB9AHPGDUSP2 | |
| SCHEMBL8043211 | 0.83 | ALDH1A1 (0.69) | ALDH1A1MAPTRAB9AHPGDUSP2 | |
| SCHEMBL8032713 | 0.82 | HPGD (0.47) | ALDH1A1MAPTHPGDLMNANPSR1 | |
| SCHEMBL8048461 | 0.82 | PTGS2 (0.43) | ALDH1A1MAPTHPGDUSP2LMNA | |
| SCHEMBL8711779 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPTRAB9AHPGDUSP2 | |
| SCHEMBL8050719 | 0.80 | HSP90AA1 (0.39) | ALDH1A1MAPTHPGDGAALMNA |
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 |