Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981681 | 0.76 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL6989270 | 0.73 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL12722992 | 0.72 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL682591 | 0.72 | L3MBTL1 (0.67) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL9131500 | 0.71 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL6980719 | 0.71 | NPC1 (0.43) | SMN1; SMN2RAB9ANPC1CES1LMNA | |
| SCHEMBL11506720 | 0.71 | CES1 (0.55) | ALDH1A1L3MBTL1CES1MAPK1 | |
| SCHEMBL10589621 | 0.70 | TAAR1 (0.41) | ALDH1A1RAB9ACES1CYP2C9CYP2C19 | |
| SCHEMBL4586342 | 0.69 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL4586337 | 0.69 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AKDM4E |
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 4 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 | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |
| 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 |