Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866637 | 0.86 | CYP3A4 (0.42) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL7039570 | 0.75 | CYP3A4 (0.44) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL7039565 | 0.71 | TLR9 (0.53) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL7039561 | 0.71 | TLR9 (0.53) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL9602394 | 0.70 | CYP3A4 (0.42) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| (Phenylsulfonyl)Benzene SCHEMBL10871438 | 0.70 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL458876 | 0.70 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL14615762 | 0.70 | CYP3A4 (0.37) | CYP3A4SMN1; SMN2PKMALDH1A1HSD17B10 | |
| SCHEMBL10718883 | 0.70 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1HSD17B10HTTTSHR | |
| SCHEMBL10718879 | 0.70 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1HSD17B10HTTTSHR |
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-0202794-A1 | 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-26 | — | — | EP | disclosed |
| EP-0202046-A1 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |