Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.63 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | UNG | P13051 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960804 | 0.87 | AKR1C3 (0.61) | LMNAGAAKMT2AAKR1C3MRGPRX4 | |
| SCHEMBL1042630 | 0.85 | AKR1C3 (0.79) | KMT2AAKR1C3MRGPRX4KMOCYP2C9 | |
| SCHEMBL29466776 | 0.85 | AKR1C3 (0.79) | KMT2AAKR1C3MRGPRX4KMOCYP2C9 | |
| SCHEMBL20240298 | 0.84 | LMNA (0.55) | LMNAGAAKMT2ANPSR1ALDH1A1 | |
| SCHEMBL29960461 | 0.84 | LMNA (0.55) | LMNAGAAKMT2ANPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8434547 | 0.84 | AKR1C3 (0.76) | KMT2AAKR1C3MRGPRX4KMOCYP2C9 | |
| Hydrochloric Acid SCHEMBL8434544 | 0.84 | AKR1C3 (0.76) | KMT2AAKR1C3MRGPRX4KMOCYP2C9 | |
| Paraben SCHEMBL10783881 | 0.84 | LMNA (0.55) | LMNAGAAKMT2AAKR1C3NPSR1 | |
| SCHEMBL3123358 | 0.81 | NPSR1 (0.52) | LMNAGAAKMT2ANPSR1ALDH1A1 | |
| SCHEMBL95238 | 0.80 | LMNA (1.00) | LMNAGAAKMT2ANPSR1ALDH1A1 |
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-2010002483-A1 | OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS | CV THERAPEUTICS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |