Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| SCHEMBL8106395 | 0.77 | CALM1 (0.39) | KDM4EALDH1A1SMN1; SMN2CALM1HTR2A | |
| SCHEMBL7367556 | 0.76 | MEN1 (0.35) | KDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27898621 | 0.76 | CALM1 (0.38) | KDM4EALDH1A1SMN1; SMN2CALM1HTR2A | |
| SCHEMBL8939764 | 0.72 | HTR2A (0.39) | KDM4EALDH1A1SMN1; SMN2CALM1HTR2A | |
| SCHEMBL27916333 | 0.70 | KMT2A (0.35) | KDM4EALDH1A1SMN1; SMN2CALM1LMNA | |
| SCHEMBL8939781 | 0.68 | CALM1 (0.41) | KDM4EALDH1A1SMN1; SMN2CALM1HTR2A | |
| SCHEMBL585620 | 0.68 | — | — | |
| SCHEMBL19133532 | 0.66 | — | — | |
| SCHEMBL11015096 | 0.66 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2CALM1LMNA | |
| SCHEMBL8939775 | 0.66 | CALM1 (0.43) | CALM1CES1 |
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-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | disclosed |