Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27199919 | 0.76 | KDM4E (0.43) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| Cadaverine Tartrate SCHEMBL30866561 | 0.75 | BLM (0.56) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL27199834 | 0.75 | CHRNA7 (0.45) | CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL30866532 | 0.75 | CHRNA7 (0.45) | CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL27199831 | 0.75 | CHRNA7 (0.45) | CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| L-Lactic Acid SCHEMBL27199837 | 0.72 | BLM (0.47) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| Lactic Acid SCHEMBL27199832 | 0.72 | BLM (0.47) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL6644584 | 0.72 | PARP1 (0.49) | PARP1CHRNB2CHRNA7CHRNA4PARP2 | |
| Benzoic Acid SCHEMBL27199942 | 0.72 | CHRNB2 (0.43) | CHRNB2CHRNA7CHRNA4KDM4EALDH1A1 | |
| SCHEMBL2350304 | 0.71 | PARP1 (0.43) | PARP1CHRNB2CHRNA7CHRNA4PARP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1492786-A1 | PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003084949-A1 | PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2003-10-16 | — | — | WO | disclosed |