Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | HPGD | P15428 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 4/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | CRHBP | P24387 | 1/20 | 0.59 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060904 | 0.90 | KMT2A (0.73) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL10355 | 0.87 | KMT2A (0.69) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL4603889 | 0.86 | ALDH1A1 (0.75) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL11068063 | 0.85 | KMT2A (0.74) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL6995692 | 0.85 | KMT2A (0.67) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL24933536 | 0.84 | ALDH1A1 (0.64) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL11064012 | 0.83 | CYP1A2 (0.70) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL8298069 | 0.82 | ALDH1A1 (0.70) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL29508878 | 0.81 | KMT2A (0.71) | ALDH1A1HPGDKMT2AMEN1CES2 | |
| SCHEMBL297043 | 0.81 | KMT2A (0.71) | ALDH1A1HPGDKMT2AMEN1CES2 |
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-0508796-B1 | Cholecystokinin antagonists | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| US-5220018-A | Benzodiazepine derivatives | MERCK & CO., INC. (US) | 1993-06-15 | — | — | US | disclosed |
| EP-0508796-A1 | Cholecystokinin antagonists | MERCK & CO. INC. (US) | 1992-10-14 | — | — | EP | disclosed |
| US-4447515-A | DIACYLAMINE COMPOUND ADDED | FUJI PHOTO FILM CO., LTD. (JP) | 1984-05-08 | — | — | US | disclosed |