Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857938 | 0.84 | SMN1; SMN2 (0.55) | KMT2ASMN1; SMN2MAPTALDH1A1PKM | |
| SCHEMBL3860533 | 0.77 | KMT2A (0.54) | KMT2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL6312637 | 0.77 | NPC1 (0.48) | KMT2ASMN1; SMN2PKMNPC1RAB9A | |
| SCHEMBL28719689 | 0.76 | KMT2A (0.51) | KMT2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL16713290 | 0.76 | KMT2A (0.66) | KMT2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL12885146 | 0.74 | KMT2A (0.44) | KMT2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL3862078 | 0.72 | CES2 (0.62) | KMT2ASMN1; SMN2MAPTALDH1A1PKM | |
| SCHEMBL1384938 | 0.71 | SMN1; SMN2 (0.55) | KMT2ASMN1; SMN2MAPTALDH1A1PKM | |
| SCHEMBL3854023 | 0.70 | ALDH1A1 (0.57) | KMT2ASMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL28709131 | 0.68 | ALDH1A1 (0.53) | KMT2ASMN1; SMN2MAPTALDH1A1PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1440390-A | Substituted diamine derivatives as motilin antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-09-03 | — | — | CN | claimed |
| 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 |