Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALPG | P10696 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2842596 | 0.86 | CFTR (0.57) | SMN1; SMN2CYP19A1KCNA5CFTRSLC6A2 | |
| SCHEMBL21574585 | 0.84 | KCNA5 (0.45) | SMN1; SMN2LMNAALDH1A1HPGDUSP2 | |
| SCHEMBL1033928 | 0.83 | CYP19A1 (0.49) | SMN1; SMN2LMNAALDH1A1HPGDUSP2 | |
| SCHEMBL5052368 | 0.80 | ALDH1A1 (0.74) | SMN1; SMN2LMNAALDH1A1HPGDUSP2 | |
| SCHEMBL1508006 | 0.80 | ALDH1A1 (0.70) | SMN1; SMN2LMNAALDH1A1HPGDUSP2 | |
| SCHEMBL1378412 | 0.77 | KCNA5 (0.56) | SMN1; SMN2CYP19A1POLBKCNA5CFTR | |
| SCHEMBL11632827 | 0.77 | SLC6A2 (0.70) | SMN1; SMN2ALDH1A1NPSR1CYP19A1POLB | |
| SCHEMBL3888426 | 0.77 | KCNA5 (0.56) | SMN1; SMN2CYP19A1POLBKCNA5CFTR | |
| Fluorobenzene SCHEMBL1444304 | 0.76 | ALDH1A1 (0.69) | SMN1; SMN2LMNAALDH1A1HPGDUSP2 | |
| SCHEMBL10371774 | 0.74 | POLB (0.51) | SMN1; SMN2CYP19A1POLBKCNA5CFTR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5484787-A | Heterocyclicacetonitriles and fungicidal use | ROHM AND HAAS COMPANY (US) | 1996-01-16 | — | — | US | disclosed |
| US-5397793-A | Heterocyclicacetonitriles and fungicidal use | ROHM AND HAAS COMPANY (US) | 1995-03-14 | — | — | US | disclosed |
| EP-0451948-B1 | Heterocyclicacetonitriles and their fungicidal use | ROHM & HAAS (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0451948-A1 | Heterocyclicacetonitriles and their fungicidal use | ROHM AND HAAS COMPANY (US) | 1991-10-16 | — | — | EP | disclosed |