Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | PPARD | Q03181 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | F7 | P08709 | 3/20 | 0.43 |
| ▸ | F3 | P13726 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL18555187 | 1.00 | KMT2A (0.43) | KMT2AALDH1A1OXER1PPARGCYP19A1 | |
| SCHEMBL18555680 | 0.92 | PTGER1 (0.41) | KMT2AALDH1A1OXER1PPARGCYP19A1 | |
| SCHEMBL18555678 | 0.92 | PTGER1 (0.41) | KMT2AALDH1A1OXER1PPARGCYP19A1 | |
| SCHEMBL17345581 | 0.84 | PAM (0.47) | KMT2AALDH1A1PDE5AMEN1PTGER1 | |
| SCHEMBL10993947 | 0.78 | SMPD2 (0.52) | ALDH1A1TOP1CYSLTR2CYSLTR1MAPT | |
| SCHEMBL10993939 | 0.78 | SMPD2 (0.52) | ALDH1A1TOP1CYSLTR2CYSLTR1MAPT | |
| SCHEMBL17867041 | 0.74 | ALDH1A1 (0.46) | ALDH1A1OXER1PPARGCYP19A1RXRA | |
| SCHEMBL29962896 | 0.74 | ALDH1A1 (0.46) | ALDH1A1OXER1PPARGCYP19A1RXRA | |
| SCHEMBL17867043 | 0.74 | ALDH1A1 (0.46) | ALDH1A1OXER1PPARGCYP19A1RXRA | |
| SCHEMBL18555493 | 0.74 | PTGER3 (0.52) | PTGER1PTGER4PTGER3PTGER2MAPT |
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-2017035288-A1 | COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION | TRUSTEES OF DARTMOUTH COLLEGE (US) | 2017-03-02 | — | — | WO | disclosed |