Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | SAT1 | P21673 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL28741160 | 0.90 | KDM4E (0.55) | KDM4EGAACYP2C9MEN1KMT2A | |
| Diethanolamine SCHEMBL8583799 | 0.87 | MEN1 (0.50) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL8521651 | 0.85 | MEN1 (0.48) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL7755972 | 0.83 | MEN1 (0.55) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL20549040 | 0.80 | TSHR (0.56) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL27588949 | 0.78 | KDM4E (0.55) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL28279707 | 0.78 | MEN1 (0.61) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL1121824 | 0.78 | — | — | |
| Morpholine SCHEMBL11143962 | 0.75 | MEN1 (0.67) | KDM4EGAACYP2C9MEN1KMT2A | |
| Morpholine SCHEMBL28987277 | 0.75 | MEN1 (0.58) | KDM4EGAACYP2C9MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102718775-B | As the Macrocyclic quinazoline derivatives of antiproliferative | JANSSEN PHARMACEUTICA N.V. (BE) | 2016-02-17 | — | — | CN | disclosed |