Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.43 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RRM1 | P23921 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21064892 | 0.79 | KDM1A (0.64) | KDM1AEPHX1CASP2ZDHHC20ZDHHC2 | |
| SCHEMBL14868285 | 0.77 | SPHK1 (0.40) | KDM1AEPHX1CASP2DPP7GRIN2D | |
| SCHEMBL14932687 | 0.74 | GRIN2D (0.55) | EPHX1CASP2DPP7GRIN2DGRIN3B | |
| SCHEMBL12344215 | 0.74 | KDM1A (0.69) | KDM1AEPHX1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL14289074 | 0.74 | KDM1A (0.42) | KDM1A | |
| SCHEMBL11484378 | 0.73 | HRH4 (0.51) | KDM1AEPHX1CASP2ZDHHC20ZDHHC2 | |
| SCHEMBL14868278 | 0.71 | GRIN2D (0.43) | KDM1AEPHX1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1395514 | 0.70 | EPHX1 (0.71) | EPHX1CASP2DPP7ALDH1A1 | |
| SCHEMBL4051612 | 0.70 | EPHX1 (0.46) | EPHX1CASP2DPP7ALDH1A1TSHR | |
| SCHEMBL4400254 | 0.70 | EPHX1 (0.46) | EPHX1CASP2DPP7ZDHHC20ZDHHC2 |
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-2006116953-A1 | A METHOD FOR THE PREPARATION OF TEGASEROD AND SLECTED SALTS THEREOF | ZENTIVA, A.S. (CZ) | 2006-11-09 | — | — | WO | disclosed |