Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 10/20 | 0.37 |
| ▸ | VNN1 | O95497 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7728942 | 0.93 | CETP (0.40) | KCNQ3KCNQ2KCNE1KCNQ1RORC | |
| SCHEMBL679186 | 0.77 | CES2 (0.47) | KMT2AATMCYP3A4MRGPRX4ALDH1A1 | |
| SCHEMBL759728 | 0.77 | KCNQ3 (0.54) | KCNQ3KCNQ2KCNE1KCNQ1VNN1 | |
| SCHEMBL476764 | 0.77 | CES2 (0.48) | RORCCYP2C9KMT2ACYP3A4CYP2C19 | |
| SCHEMBL9230110 | 0.77 | CES2 (0.47) | KCNQ3KCNQ2KCNE1KCNQ1KMT2A | |
| SCHEMBL8109410 | 0.73 | CES2 (0.43) | VNN1KMT2AATM | |
| SCHEMBL8591371 | 0.70 | CES2 (0.53) | KMT2AALDH1A1ALOX15 | |
| SCHEMBL30405018 | 0.69 | KCNQ3 (0.45) | KCNQ3KCNQ2KCNE1KCNQ1VNN1 | |
| SCHEMBL8447031 | 0.68 | ALDH1A1 (0.48) | KMT2AALDH1A1 | |
| SCHEMBL7265211 | 0.66 | IDO1 (0.48) | VNN1CYP2C9CYP3A4CYP2C19ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |