Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 7/20 | 0.60 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.56 |
| ▸ | F10 | P00742 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7454583 | 0.95 | F2 (0.67) | F2MRGPRX4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7579209 | 0.94 | MRGPRX4 (0.59) | F2MRGPRX4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17894403 | 0.86 | SMPD1 (0.69) | F2RAB9ANR1H4F10NR4A2 | |
| SCHEMBL7569906 | 0.85 | SMPD1 (0.56) | F2MRGPRX4NPC1ALDH1A1F10 | |
| SCHEMBL7455175 | 0.83 | F2 (0.84) | F2MRGPRX4F10 | |
| Trifluoroacetic Acid SCHEMBL17894491 | 0.80 | SMPD1 (0.60) | F2RAB9ANR1H4F10NR4A2 | |
| Hydrochloric Acid SCHEMBL8703334 | 0.80 | KAT6A (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL7452930 | 0.78 | F2 (0.94) | F2F10NR4A2 | |
| SCHEMBL5175529 | 0.77 | HDAC8 (0.62) | ALDH1A1NR1H4 | |
| Hydrochloric Acid SCHEMBL8705323 | 0.76 | HDAC8 (0.60) | ALDH1A1NR1H4 |
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 |