Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.61 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | RHEB | Q15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL11430105 | 0.80 | SLC6A2 (0.66) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL7769553 | 0.80 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL7765702 | 0.80 | CXCL8 (0.64) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL112757 | 0.80 | SLC6A2 (0.61) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL1436765 | 0.80 | HPGD (0.59) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| Bromide SCHEMBL28304801 | 0.78 | HPGD (0.57) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL9704852 | 0.77 | SLC6A4 (0.63) | SLC6A2SLC6A3SLC6A4HTT | |
| SCHEMBL19926361 | 0.76 | SLC6A4 (0.60) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL7770746 | 0.76 | SLC6A4 (0.56) | SLC6A2SLC6A3SLC6A4CXCL8HPGD | |
| SCHEMBL128364 | 0.75 | — | — |
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-5159117-A | Reacting ketone or aldehyde with nitrites in presence of acid catalyst | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-27 | — | — | US | disclosed |