Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | KCNQ3 | O43525 | 4/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 4/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.30 |
| ▸ | CHRNG | P07510 | 1/20 | 0.30 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 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 | |
|---|---|---|---|---|
| SCHEMBL7738818 | 0.84 | ALDH1A1 (0.32) | CES2CES1ALDH1A1EPHX2NR1H4 | |
| SCHEMBL27527292 | 0.84 | MRGPRX4 (0.48) | MRGPRX4CES2CES1ALDH1A1EPHX2 | |
| SCHEMBL31435271 | 0.80 | CES2 (0.41) | MRGPRX4CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL4123543 | 0.80 | CES2 (0.41) | MRGPRX4CES2CES1ALDH1A1ALOX15 | |
| SCHEMBL5591797 | 0.79 | CES2 (0.39) | MRGPRX4CES2CES1KCNQ3KCNQ2 | |
| SCHEMBL20256821 | 0.74 | MPO (0.40) | ALDH1A1ALOX15 | |
| SCHEMBL11669995 | 0.74 | ALDH1A1 (0.54) | CES2CES1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL192962 | 0.73 | CES2 (0.67) | CES2CES1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL29470947 | 0.73 | CES2 (0.67) | CES2CES1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL759728 | 0.73 | KCNQ3 (0.54) | CES2CES1KCNQ3KCNQ2KCNE1 |
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-1379506-A2 | SUBSTITUTED CARBOXAMIDES | ELI LILLY AND COMPANY (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002064567-A2 | SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA | ELI LILLY AND COMPANY (US) | 2002-08-22 | — | — | WO | disclosed |