Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL219736 | 0.86 | ATM (0.54) | ATMCES2CES1RAB9AESR1 | |
| SCHEMBL27343182 | 0.84 | ATM (0.52) | ATMCES2CES1RAB9AESR1 | |
| SCHEMBL10787545 | 0.83 | ESR1 (0.52) | ESR1CYP19A1ESR2HTR7MEN1 | |
| SCHEMBL9576012 | 0.80 | CES2 (0.56) | ATMCES2CES1NPC1RAB9A | |
| SCHEMBL8938040 | 0.80 | SMN1; SMN2 (0.61) | ATMCES2CES1NPC1RAB9A | |
| SCHEMBL11715994 | 0.78 | CES2 (0.54) | ATMCES2CES1NPC1RAB9A | |
| SCHEMBL28794417 | 0.78 | TSHR (0.61) | CES2CES1RAB9APKMMAPT | |
| SCHEMBL6989270 | 0.77 | ALDH1A1 (0.51) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| Fluorobenzene SCHEMBL2006171 | 0.76 | NFE2L2 (0.46) | NPC1RAB9AHTR7MEN1KMT2A | |
| SCHEMBL27923092 | 0.75 | LOXL2 (0.50) | ATMCES2CES1ESR1CYP19A1 |
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 |