Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL761496 | 0.89 | CYP3A4 (0.43) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL9811267 | 0.83 | TSHR (0.39) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL761495 | 0.81 | CYP3A4 (0.38) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL2843185 | 0.81 | — | — | |
| SCHEMBL13861279 | 0.78 | TSHR (0.42) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL9865572 | 0.75 | CYP3A4 (0.37) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL13861264 | 0.75 | TSHR (0.43) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL9543820 | 0.73 | — | — | |
| SCHEMBL6824967 | 0.73 | ALDH1A1 (0.48) | TSHRMAPTALDH1A1HSD17B10NPSR1 | |
| SCHEMBL9413861 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5011938-A | Antimicrobials | ELI LILLY AND COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4940718-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| EP-0202046-A1 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |
| CN-86103619-A | The preparation method of the bicyclic pyrazolidinones that 7-replaces | — | 1986-10-29 | — | — | CN | disclosed |