Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12928744 | 0.81 | EPHX1 (0.37) | EPHX1CYP19A1CA1CA2HTT | |
| SCHEMBL3665618 | 0.80 | GABRP (0.34) | EPHX1ATM | |
| SCHEMBL25473117 | 0.78 | EPHX1 (0.34) | EPHX1CYP19A1HTTSMN1; SMN2NPC1 | |
| SCHEMBL23779185 | 0.75 | MEN1 (0.35) | EPHX1MEN1KMT2A | |
| SCHEMBL10487917 | 0.73 | EPHX1 (0.33) | EPHX1CA1CA2CES2CES1 | |
| SCHEMBL26077300 | 0.73 | CYP4F2 (0.41) | EPHX1CYP19A1NAAAATMGAA | |
| SCHEMBL9114774 | 0.70 | ACHE (0.35) | EPHX1CYP19A1CA1CA2HTT | |
| SCHEMBL24616685 | 0.70 | CA1 (0.36) | CYP19A1CA1CA2 | |
| SCHEMBL1356955 | 0.70 | CA1 (0.34) | EPHX1CYP19A1CA1CA2HTT | |
| SCHEMBL1356953 | 0.70 | CA1 (0.36) | EPHX1CYP19A1CA1CA2HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1764099-A2 | Diaminoalcohol derivatives for the treatment of Alzheimer, malaria, HIV | Speedel Experimenta AG (CH) | 2007-03-21 | — | — | EP | disclosed |
| WO-2005090304-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-09-29 | — | — | WO | disclosed |