Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | EGFR | P00533 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.50 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6895438 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL15409795 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2C19EGFRSMN1; SMN2CYP1A2 | |
| SCHEMBL12850582 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2C19EGFRSMN1; SMN2CYP1A2 | |
| SCHEMBL12512971 | 0.83 | ALDH1A1 (0.71) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL1966601 | 0.81 | EGFR (1.00) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL1966603 | 0.81 | EGFR (1.00) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL8134361 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL3224674 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL3224656 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP2C19EGFRHTTRAB9A | |
| SCHEMBL8549226 | 0.79 | ALDH1A1 (0.66) | ALDH1A1CYP2C19EGFRHTTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |