Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9935290 | 0.93 | HPGD (0.75) | HPGDALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL2448742 | 0.93 | HPGD (0.75) | HPGDALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL11403472 | 0.92 | HPGD (0.78) | HPGDALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL13882324 | 0.84 | HTR2C (0.65) | HPGDCYP2C9KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL695273 | 0.82 | HPGD (0.59) | HPGDALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL4032240 | 0.78 | ALDH1A1 (0.62) | HPGDALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL11399325 | 0.78 | EPHX2 (0.71) | HPGDALDH1A1TSHRMAPTSMN1; SMN2 | |
| SCHEMBL19206078 | 0.78 | RAB9A (0.51) | HPGDALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL13882323 | 0.78 | EPHX2 (0.58) | CYP2C9ATM | |
| SCHEMBL2450751 | 0.77 | ALDH1A1 (0.65) | HPGDALDH1A1SMN1; SMN2 |
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-3110794-A1 | HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015130905-A1 | HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-09-03 | — | — | WO | disclosed |