Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2534944 | 0.86 | CYP2A6 (0.53) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL8486768 | 0.85 | CYP2A6 (0.59) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL73676 | 0.80 | CYP2A6 (0.60) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL3936611 | 0.79 | CYP2A6 (0.59) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL8315892 | 0.79 | PKM (0.48) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL6021036 | 0.78 | CTSL (0.55) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL27487011 | 0.78 | CTSL (0.50) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL6377755 | 0.78 | CYP2A6 (0.61) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL9400071 | 0.77 | CYP2A6 (0.49) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 | |
| SCHEMBL6021017 | 0.76 | ALDH1A1 (0.43) | CYP2A6TAAR1SMN1; SMN2TP53RXFP1 |
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-4517188-A | HYPOTENSIVE AGENTS, VASODILATORS, ADRENERGIC BETA BLOCKERS | MEAD JOHNSON & COMPANY (US) | 1985-05-14 | — | — | US | disclosed |
| US-4321398-A | Thienyl and benzothienyl-tertiary butylaminophenoxypropanols | MEAD JOHNSON & COMPANY (US) | 1982-03-23 | — | — | US | disclosed |