Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1114865 | 0.89 | DRD4 (0.50) | ALDH1A1POLBDRD4MEN1KMT2A | |
| SCHEMBL1114895 | 0.80 | ALDH1A1 (0.49) | ALDH1A1POLBDRD4MEN1KMT2A | |
| SCHEMBL1114716 | 0.80 | FOLH1 (0.46) | ALDH1A1POLBDRD4MEN1KMT2A | |
| SCHEMBL1115013 | 0.79 | FOLH1 (0.45) | ALDH1A1POLBDRD4TSHRMEN1 | |
| SCHEMBL1114994 | 0.79 | FOLH1 (0.45) | ALDH1A1POLBDRD4TSHRMEN1 | |
| SCHEMBL1114953 | 0.79 | FOLH1 (0.45) | ALDH1A1POLBDRD4TSHRMEN1 | |
| SCHEMBL1115085 | 0.79 | FOLH1 (0.45) | ALDH1A1POLBDRD4TSHRMEN1 | |
| SCHEMBL1114948 | 0.78 | DRD4 (0.48) | ALDH1A1POLBDRD4TSHRMEN1 | |
| SCHEMBL30962500 | 0.77 | ALDH1A1 (0.50) | ALDH1A1POLBTSHRMEN1KMT2A | |
| SCHEMBL14853482 | 0.76 | ALDH1A1 (0.50) | ALDH1A1POLBDRD4TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002006229-A2 | HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS | WYETH (US) | 2002-01-24 | — | — | WO | disclosed |