Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 6/20 | 0.49 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3802935 | 0.79 | ALOX5 (0.74) | ALOX5ESR2BACE1ESR1PELI1 | |
| SCHEMBL503746 | 0.79 | ALOX5 (0.74) | ALOX5ESR2BACE1ESR1PELI1 | |
| Formaldehyde SCHEMBL27517414 | 0.78 | ALOX5 (0.87) | ALOX5ESR2BACE1ESR1ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27798330 | 0.77 | ALOX5 (0.71) | ALOX5ESR2BACE1ESR1PELI1 | |
| Phosphine SCHEMBL28090181 | 0.77 | ALOX5 (0.71) | ALOX5ESR2BACE1ESR1PELI1 | |
| SCHEMBL68984 | 0.77 | ALOX5 (0.71) | ALOX5ESR2BACE1ESR1PELI1 | |
| SCHEMBL31121009 | 0.77 | ALOX5 (0.71) | ALOX5ESR2BACE1ESR1PELI1 | |
| SCHEMBL29458798 | 0.77 | ALOX5 (0.71) | ALOX5ESR2BACE1ESR1PELI1 | |
| SCHEMBL97189 | 0.77 | MEN1 (0.52) | ALOX5BACE1ALDH1A1KDM4EHPGD | |
| Ethane SCHEMBL6838808 | 0.76 | ALOX5 (0.68) | ALOX5ESR2BACE1ESR1PELI1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010136804-A1 | PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS | ASTON UNIVERSITY (GB) | 2010-12-02 | — | — | WO | claimed |
| WO-2010136804-A1 | PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS | ASTON UNIVERSITY (GB) | 2010-12-02 | — | — | WO | disclosed |