Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4092998 | 0.85 | CES2 (0.74) | TP53POLBRAB9ACES2CES1 | |
| SCHEMBL9126277 | 0.83 | CES1 (0.77) | TP53NPC1POLBRAB9ACES2 | |
| SCHEMBL7785000 | 0.83 | CES2 (0.62) | TP53NPC1POLBRAB9ACES2 | |
| Dinitrophenylene SCHEMBL27294590 | 0.79 | TSHR (0.71) | TP53NPC1RAB9ACES2CES1 | |
| Dinitrophenylene SCHEMBL27401564 | 0.78 | TSHR (0.68) | TP53NPC1RAB9ACES2CES1 | |
| SCHEMBL9670443 | 0.77 | CES1 (0.74) | NPC1POLBRAB9ACES2CES1 | |
| SCHEMBL6312637 | 0.75 | NPC1 (0.48) | NPC1POLBRAB9ACES2CES1 | |
| Benzoic Acid SCHEMBL29102093 | 0.75 | TP53 (0.93) | TP53CES2CES1ALDH1A1TSHR | |
| SCHEMBL333455 | 0.75 | TP53 (0.73) | TP53POLBCES2CES1ALDH1A1 | |
| SCHEMBL31454134 | 0.75 | CES2 (0.89) | TP53CES2CES1ALDH1A1TSHR |
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 | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |