Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | PLAAT3 | P53816 | 2/20 | 0.44 |
| ▸ | PLAAT5 | Q96KN8 | 2/20 | 0.44 |
| ▸ | PLAAT2 | Q9NWW9 | 2/20 | 0.44 |
| ▸ | PLAAT4 | Q9UL19 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983635 | 0.85 | ALDH1A1 (0.53) | PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1 | |
| SCHEMBL6985463 | 0.79 | L3MBTL1 (0.56) | GRIN2BPLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL6979677 | 0.75 | CTSL (0.52) | CTSLCTSBALDH1A1KDM4EMEN1 | |
| SCHEMBL8956360 | 0.75 | GRIN2B (0.56) | GRIN2BCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13561129 | 0.73 | PLAAT3 (0.57) | CTSLCTSBPLAAT3PLAAT5PLAAT2 | |
| SCHEMBL8329374 | 0.71 | CTSL (0.51) | GRIN2BCTSLCTSBPLAAT3PLAAT5 | |
| SCHEMBL11697150 | 0.70 | F2 (0.51) | GRIN2BCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23071686 | 0.69 | TAAR1 (0.65) | CYP3A4PLAAT3PLAAT5PLAAT2PLAAT4 | |
| SCHEMBL6985694 | 0.69 | ALDH1A1 (0.55) | PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1 | |
| SCHEMBL28012695 | 0.67 | NPC1 (0.65) | PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1 |
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 |