Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | DPEP1 | P16444 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10985072 | 0.98 | RAB9A (0.41) | ALDH1A1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL497968 | 0.79 | KDM4E (0.42) | ALDH1A1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL1432366 | 0.78 | KDM4E (0.45) | ALDH1A1NPC1POLBRAB9ASMN1; SMN2 | |
| SCHEMBL2658304 | 0.75 | ALDH1A1 (0.42) | ALDH1A1POLB | |
| SCHEMBL8162492 | 0.74 | EPHX2 (0.47) | ALDH1A1NPC1POLBRAB9AKMT2A | |
| SCHEMBL2652236 | 0.72 | ALDH1A1 (0.47) | ALDH1A1DPEP1 | |
| SCHEMBL23093933 | 0.71 | HSD17B10 (0.44) | NPC1RAB9ALMNA | |
| SCHEMBL8671074 | 0.71 | ALDH5A1 (0.44) | ALDH1A1KMT2AMAPT | |
| SCHEMBL8669221 | 0.71 | RELA (0.43) | ALDH1A1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL498414 | 0.70 | ALDH1A1 (0.40) | ALDH1A1POLBMAPT |
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 |