Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5871988 | 0.79 | CYP1A2 (0.33) | ALDH1A1HPGD | |
| SCHEMBL9701751 | 0.76 | — | — | |
| SCHEMBL979051 | 0.76 | TYR (0.46) | TYRALDH1A3ALDH1A1CYP2A6ADRB2 | |
| SCHEMBL10514349 | 0.74 | — | — | |
| SCHEMBL13587812 | 0.71 | TYR (0.48) | TYRALDH1A3ALDH1A1CYP2A6ADRB2 | |
| SCHEMBL8880073 | 0.71 | PTGES2 (0.35) | — | |
| SCHEMBL8807198 | 0.69 | ALDH1A1 (0.36) | TYRALDH1A3ALDH1A1CYP2A6ADRB2 | |
| SCHEMBL6160182 | 0.68 | SLC6A2 (0.37) | ALDH1A1 | |
| SCHEMBL7457125 | 0.66 | ALDH1A1 (0.47) | TYRALDH1A3ALDH1A1CYP2A6ADRB2 | |
| SCHEMBL573169 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5624948-A | TREATMENT OF BRONCHIAL ASTHMA | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0699668-A1 | 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE | Kissei Pharmaceutical Co., Ltd. (JP) | 1996-03-06 | — | — | EP | disclosed |