Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL77660 | 0.89 | TDP1 (0.58) | TDP1MAPK1CYP3A4TSHRMAPT | |
| SCHEMBL93163 | 0.89 | CYP3A4 (0.56) | TDP1MAPK1CYP3A4TSHRMAPT | |
| SCHEMBL5862066 | 0.83 | CYP3A4 (0.50) | TDP1MAPK1CYP3A4TSHRMAPT | |
| SCHEMBL11551012 | 0.83 | TDP1 (0.52) | TDP1MAPK1CYP3A4TSHRMAPT | |
| SCHEMBL27995745 | 0.83 | TDP1 (0.52) | TDP1MAPK1CYP3A4TSHRMAPT | |
| Dimethylamine SCHEMBL11802975 | 0.81 | CYP3A4 (0.54) | TDP1MAPK1CYP3A4TSHRMAPT | |
| Fluorobenzene SCHEMBL2828466 | 0.81 | CYP3A4 (0.48) | TDP1MAPK1CYP3A4TSHRNPC1 | |
| SCHEMBL7523448 | 0.79 | CYP3A4 (0.47) | TDP1MAPK1CYP3A4TSHRMAPT | |
| SCHEMBL10534838 | 0.78 | MAPK1 (0.47) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL15430 | 0.76 | CYP3A4 (0.70) | TDP1MAPK1CYP3A4TSHRTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |