Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL242506 | 0.77 | CES1 (0.54) | ALDH1A1CES1MAPTTSHRSMN1; SMN2 | |
| SCHEMBL8799598 | 0.76 | KCNN4 (0.46) | ALDH1A1CES1MAPTGAASRC | |
| SCHEMBL8800479 | 0.76 | KCNN4 (0.51) | ALDH1A1CES1GAASRCCYP2C9 | |
| SCHEMBL8800962 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CES1MAPTGAASRC | |
| Methoxymethane SCHEMBL11536323 | 0.74 | CES1 (0.61) | ALDH1A1CES1GAATSHRSRC | |
| SCHEMBL27424795 | 0.73 | ALDH1A1 (0.47) | ALDH1A1MAPTTP53GAATSHR | |
| SCHEMBL14002002 | 0.71 | CES1 (0.52) | ALDH1A1CES1MAPTGAASMN1; SMN2 | |
| SCHEMBL5799085 | 0.71 | KCNN4 (0.42) | ALDH1A1MAPTTP53GAATSHR | |
| SCHEMBL26919784 | 0.71 | KDM4E (0.42) | ALDH1A1MAPTTP53GAATSHR | |
| SCHEMBL11100244 | 0.70 | CRHBP (0.39) | ALDH1A1MAPTTP53GAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |