Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5329563 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CHRNB2CHRNB4CHRNA4CNR1 | |
| SCHEMBL3113047 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA4CNR1 | |
| Hydrochloric Acid SCHEMBL27936402 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA4CNR1 | |
| SCHEMBL5948495 | 0.75 | ALDH1A1 (0.74) | ALDH1A1CHRNB2CHRNB4CHRNA4LMNA | |
| SCHEMBL131476 | 0.75 | ALDH1A1 (0.74) | ALDH1A1CHRNB2CHRNB4CHRNA4LMNA | |
| SCHEMBL7301068 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL3189950 | 0.73 | ALDH1A1 (0.70) | ALDH1A1CHRNB2CHRNB4CHRNA4LMNA | |
| SCHEMBL25034553 | 0.72 | CNR1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA4CNR1 | |
| SCHEMBL28340305 | 0.72 | ALDH1A1 (0.56) | ALDH1A1CHRNB2CHRNB4CHRNA4CNR1 | |
| SCHEMBL2077373 | 0.71 | ALDH1A1 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA4CNR1 |
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-5606078-A | ANTIHYPERTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |