Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20677146 | 0.75 | TDP1 (0.79) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL50264 | 0.75 | TDP1 (0.79) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL21094081 | 0.75 | TDP1 (0.79) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL5067444 | 0.74 | ALDH1A1 (0.66) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL7968447 | 0.74 | ALDH1A1 (0.66) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL187051 | 0.74 | ALDH1A1 (0.66) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL28243292 | 0.73 | TSHR (0.60) | ALDH1A1PKMLMNAGAATP53 | |
| Ammonia Solution, Strong SCHEMBL11545942 | 0.73 | ALDH1A1 (0.64) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL8009352 | 0.71 | ALDH1A1 (0.65) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL974755 | 0.71 | ALDH1A1 (0.62) | ALDH1A1PKMLMNAGAATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4410530-A | CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS | CIBA-GEIGY CORPORATION (US) | 1983-10-18 | — | — | US | disclosed |
| US-4195090-A | ADRENERGIC BLOCKING AGENTS | CIBA-GEIGY CORPORATION (US) | 1980-03-25 | — | — | US | disclosed |
| US-4115575-A | CARDIOVASCULAR DISORDERS | CIBA-GEIGY CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |