Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6062101 | 0.76 | ALDH1A1 (0.39) | EPHX1ALDH1A1HSD17B10KDM4ESHBG | |
| SCHEMBL28088231 | 0.75 | KDM4E (0.44) | EPHX1HTTALDH1A1HSD17B10KDM4E | |
| SCHEMBL5504169 | 0.73 | NPSR1 (0.42) | EPHX1HTTALDH1A1HSD17B10KDM4E | |
| SCHEMBL31035976 | 0.73 | CYP1A2 (0.41) | EPHX1ALDH1A1HSD17B10KDM4ECYP1A2 | |
| SCHEMBL16135444 | 0.73 | CYP1A2 (0.41) | EPHX1ALDH1A1HSD17B10KDM4ECYP1A2 | |
| SCHEMBL28377784 | 0.71 | ALDH1A1 (0.39) | EPHX1ALDH1A1HSD17B10KDM4ECYP3A4 | |
| SCHEMBL11337017 | 0.71 | ALDH1A1 (0.39) | EPHX1HTTALDH1A1HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL4745599 | 0.71 | CYP1A2 (0.40) | EPHX1ALDH1A1HSD17B10KDM4ECYP1A2 | |
| SCHEMBL27425116 | 0.71 | EPHX2 (0.42) | EPHX1HTTALDH1A1HSD17B10KDM4E | |
| SCHEMBL13676857 | 0.70 | SHBG (0.41) | EPHX1KDM4ESHBGSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3141252-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2017-03-15 | — | — | EP | disclosed |