Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6994425 | 0.81 | NPC1 (0.38) | AKR1C3AKR1C2ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL1515750 | 0.81 | L3MBTL1 (0.53) | ALDH1A1TSHRGAATNFMAPT | |
| SCHEMBL5877045 | 0.81 | L3MBTL1 (0.53) | ALDH1A1TSHRGAATNFMAPT | |
| SCHEMBL3944811 | 0.79 | NQO2 (0.46) | ALDH1A1TSHRGAAACHECA1 | |
| SCHEMBL6508159 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2GAAMAPT | |
| SCHEMBL1010039 | 0.77 | HSP90AA1 (0.41) | ALDH1A1TSHRSMN1; SMN2GAATNF | |
| SCHEMBL6988715 | 0.77 | ALDH1A1 (0.45) | ALDH1A1GAAMAPTLMNAKMT2A | |
| SCHEMBL8800434 | 0.77 | CYP1A1 (0.38) | ALDH1A1TSHRSMN1; SMN2GAATP53 | |
| SCHEMBL1515724 | 0.75 | IDO1 (0.49) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL17802349 | 0.75 | IDO1 (0.49) | ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1347967-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002051838-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-07-04 | — | — | WO | disclosed |