Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.56 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.54 |
| ▸ | F2 | P00734 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | F9 | P00740 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579209 | 0.92 | MRGPRX4 (0.59) | SMPD1SPHK2F2MAPTALDH1A1 | |
| SCHEMBL7446315 | 0.87 | ITGB3 (0.59) | F2MAPTALDH1A1BCL2L1MCL1 | |
| SCHEMBL7571258 | 0.85 | F2 (0.60) | SMPD1F2ALDH1A1MRGPRX4F10 | |
| SCHEMBL7454583 | 0.83 | F2 (0.67) | SMPD1F2ALDH1A1MRGPRX4F10 | |
| SCHEMBL17894403 | 0.81 | SMPD1 (0.69) | SMPD1SPHK2F2F10 | |
| SCHEMBL5944125 | 0.79 | SMPD1 (0.79) | SMPD1SPHK2MRGPRX4BCL2L1MCL1 | |
| SCHEMBL7450042 | 0.77 | F2 (0.83) | F2F10 | |
| Trifluoroacetic Acid SCHEMBL17894491 | 0.75 | SMPD1 (0.60) | SMPD1SPHK2F2F10 | |
| SCHEMBL5441715 | 0.75 | RAB9A (0.58) | MAPTALDH1A1NPC1 | |
| SCHEMBL7448763 | 0.75 | F2 (0.85) | F2F10 |
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-1214291-A1 | BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS | MERCK PATENT GmbH (DE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021582-A1 | BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS | MERCK PATENT GMBH (DE) | 2001-03-29 | — | — | WO | disclosed |