Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.69 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.69 |
| ▸ | KDR | P35968 | 6/20 | 0.58 |
| ▸ | LSS | P48449 | 1/20 | 0.58 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 2/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 6/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5141140 | 0.85 | KDR (0.67) | CHRNB2CHRNA4KDRHSD17B1HSD17B2 | |
| SCHEMBL8264173 | 0.83 | LSS (0.59) | CHRNB2CHRNA4LSSLTA4HKEAP1 | |
| SCHEMBL29591093 | 0.82 | CHRNB2 (1.00) | CHRNB2CHRNA4LTA4HKEAP1NFE2L2 | |
| SCHEMBL1957431 | 0.82 | CHRNB2 (1.00) | CHRNB2CHRNA4LTA4HKEAP1NFE2L2 | |
| SCHEMBL7346114 | 0.82 | HSD17B1 (0.61) | KDRHSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL22831331 | 0.82 | LSS (0.83) | LSSCYP3A4LTA4HKEAP1NFE2L2 | |
| SCHEMBL24721056 | 0.81 | LSS (0.56) | CHRNB2CHRNA4LSSCYP3A4LTA4H | |
| SCHEMBL30956050 | 0.80 | HSD17B1 (0.53) | KDRLSSHSD17B1HSD17B2CYP3A4 | |
| SCHEMBL30387666 | 0.80 | HSD17B1 (0.57) | KDRLSSHSD17B1HSD17B2CYP3A4 | |
| SCHEMBL24721332 | 0.79 | LSS (0.55) | CHRNB2CHRNA4LSSLTA4HKEAP1 |
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-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | WO | disclosed |