Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7239901 | 0.76 | GPR52 (0.49) | ALDH1A1GPR52POLBKEAP1TDP1 | |
| SCHEMBL28546675 | 0.76 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1GPR52POLB | |
| SCHEMBL6983635 | 0.75 | ALDH1A1 (0.53) | ALDH1A1RAB9ANPC1SMN1; SMN2POLB | |
| SCHEMBL6981105 | 0.74 | L3MBTL1 (0.38) | ALDH1A1RAB9ANPC1SMN1; SMN2KEAP1 | |
| SCHEMBL1515749 | 0.72 | PTPN1 (0.59) | ALDH1A1RAB9ANPC1GPR52L3MBTL1 | |
| Phenyl Propionic Acid SCHEMBL28396786 | 0.71 | KEAP1 (0.61) | ALDH1A1RAB9ANPC1GPR52SMN1; SMN2 | |
| SCHEMBL6979677 | 0.71 | CTSL (0.52) | ALDH1A1RAB9ANPC1GPR52POLB | |
| SCHEMBL6985463 | 0.68 | L3MBTL1 (0.56) | ALDH1A1RAB9ANPC1SMN1; SMN2KEAP1 | |
| SCHEMBL7392796 | 0.68 | KEAP1 (0.56) | ALDH1A1SMN1; SMN2KEAP1TDP1L3MBTL1 | |
| SCHEMBL5371385 | 0.68 | KEAP1 (0.56) | ALDH1A1SMN1; SMN2KEAP1TDP1L3MBTL1 |
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 |