Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 2/20 | 0.40 |
| ▸ | BIRC2 | Q13490 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3711552 | 0.88 | ALDH1A1 (0.46) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL13187749 | 0.88 | CYP19A1 (0.50) | ALDH1A1KMT2AMEN1KDM4EHPGD | |
| SCHEMBL3712830 | 0.87 | DEGS1 (0.44) | ALDH1A1CYP19A1CYP11B1CYP11B2CSF1R | |
| SCHEMBL3712399 | 0.86 | GRM5 (0.46) | ALDH1A1CYP19A1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL3712176 | 0.86 | GRM5 (0.42) | ALDH1A1KMT2ACYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3713260 | 0.85 | CYP11B1 (0.48) | CYP19A1CYP11B1CYP11B2CSF1RSMN1; SMN2 | |
| SCHEMBL3711302 | 0.85 | RAB9A (0.49) | KMT2AMEN1HPGDCYP19A1CYP11B1 | |
| SCHEMBL3713498 | 0.84 | CYP19A1 (0.39) | ALDH1A1KMT2AMEN1XIAPBIRC2 | |
| SCHEMBL3712323 | 0.84 | CYP19A1 (0.46) | ALDH1A1XIAPBIRC2CYP19A1CYP11B1 | |
| SCHEMBL3713936 | 0.83 | ADORA3 (0.47) | ALDH1A1XIAPBIRC2CYP19A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |