Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL9777499 | 0.72 | CYP2A6 (0.56) | CYP2A6ALOX5PGRALDH1A1MAPT | |
| SCHEMBL6261093 | 0.67 | MAPT (0.52) | CYP2A6ALDH1A1MAPTKMT2APSMD14 | |
| SCHEMBL22834157 | 0.66 | CYP2A6 (0.68) | CYP2A6ALOX5PGRALDH1A1MAPT | |
| SCHEMBL8044178 | 0.66 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL6067937 | 0.65 | CYP2A6 (0.67) | CYP2A6ALOX5PGRALDH1A1MAPT | |
| SCHEMBL31707921 | 0.65 | CYP2A6 (0.49) | CYP2A6ALOX5PGRALDH1A1MAPT | |
| SCHEMBL1255021 | 0.63 | CYP2A6 (0.59) | CYP2A6ALOX5PGRALDH1A1MAPT | |
| SCHEMBL9144199 | 0.63 | — | — | |
| SCHEMBL9465259 | 0.62 | CYP2A6 (0.46) | CYP2A6ALOX5PGRALDH1A1MAPT | |
| SCHEMBL8630113 | 0.62 | CYP2A6 (0.46) | CYP2A6ALOX5PGRALDH1A1MAPT |
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 |