Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TLR2 | O60603 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.39 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11323988 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL11384810 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL4998800 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDHTTSMN1; SMN2LMNA | |
| SCHEMBL1243967 | 0.80 | ALDH1A1 (0.68) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL3376912 | 0.80 | ALDH1A1 (0.58) | ALDH1A1HTTLMNACYP1A2CYP2C9 | |
| SCHEMBL1276592 | 0.79 | ALDH1A1 (0.79) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL30972130 | 0.79 | ALDH1A1 (0.79) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| 2-Methoxybenzaldehyde SCHEMBL5070004 | 0.78 | ALDH1A1 (0.54) | ALDH1A1HPGDHTTSMN1; SMN2LMNA | |
| SCHEMBL5807282 | 0.77 | CA1 (0.39) | ALDH1A1HPGDHTTSMN1; SMN2LMNA | |
| SCHEMBL4808585 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8119647-B2 | Fused pyrimidineone compounds as TRPV3 modulators | GLENMARK PHARMACEUTICALS S.A. (CH) | 2012-02-21 | — | — | US | disclosed |