Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL764562 | 0.81 | RAB9A (0.47) | SMYD3EPHX2NPC1RAB9AALDH1A1 | |
| SCHEMBL27760295 | 0.70 | HRH3 (0.47) | EPHX2RAB9AKDM5AKMT2AMEN1 | |
| SCHEMBL11888205 | 0.68 | HPGD (0.41) | SMYD3NPC1RAB9AALDH1A1GAA | |
| SCHEMBL21739921 | 0.67 | EPHX1 (0.49) | EPHX2NPC1RAB9AGAAEPHX1 | |
| SCHEMBL19891611 | 0.67 | NPC1 (0.72) | NPC1RAB9AALDH1A1KMT2ACYP1A2 | |
| SCHEMBL3283259 | 0.66 | EPHX1 (0.52) | EPHX2NPC1RAB9AALDH1A1EPHX1 | |
| SCHEMBL3283255 | 0.66 | EPHX1 (0.52) | EPHX2NPC1RAB9AALDH1A1EPHX1 | |
| SCHEMBL11888297 | 0.65 | MLLT1 (0.66) | SMYD3NPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL15975486 | 0.65 | EPHX1 (0.74) | EPHX2NPC1RAB9AALDH1A1GAA | |
| SCHEMBL17818376 | 0.64 | L3MBTL1 (0.62) | NPC1RAB9AHPGDSMN1; 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-2431370-A1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2012-03-21 | — | — | EP | disclosed |