Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | ESRRA | P11474 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14818779 | 0.83 | ALDH1A1 (0.50) | TSHRRAB9AMAPTTP53SMN1; SMN2 | |
| SCHEMBL342698 | 0.82 | CCR9 (0.53) | TSHRRAB9AMAPTGAAHSD17B10 | |
| SCHEMBL14803848 | 0.79 | TSHR (0.45) | TSHRRAB9AMAPTGAASMN1; SMN2 | |
| SCHEMBL5604635 | 0.77 | TSHR (0.49) | TSHRRAB9AMAPTGAASMN1; SMN2 | |
| SCHEMBL1045991 | 0.77 | SMN1; SMN2 (0.58) | TSHRRAB9AMAPTGAASMN1; SMN2 | |
| Bromide SCHEMBL7373319 | 0.75 | RAB9A (0.48) | TSHRRAB9AMAPTGAASMN1; SMN2 | |
| SCHEMBL7076440 | 0.75 | MAPK14 (0.61) | TSHRRAB9A | |
| SCHEMBL14355876 | 0.75 | ALDH1A1 (0.45) | TSHRRAB9AGAASMN1; SMN2LMNA | |
| SCHEMBL7076703 | 0.74 | HTT (0.45) | TSHRRAB9AMAPTGAAHSD17B10 | |
| SCHEMBL14356009 | 0.73 | ADRB1 (0.42) | TSHRRAB9ALMNAKMT2AHTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0715624-B1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMA CO LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-5728829-A | MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION | FERRING-RESEARCH LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |
| EP-0715624-A1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-06-12 | — | — | EP | disclosed |
| WO-1995006040-A1 | BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-02 | — | — | WO | disclosed |
| EP-0595980-A1 | BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-05-11 | — | — | EP | disclosed |
| WO-1993002078-A1 | BENZODIAZEPINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-02-04 | — | — | WO | disclosed |