Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1114607 | 0.85 | ACLY (0.38) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL8648600 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL1114906 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL6496847 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL25303536 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL25078902 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL10830500 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL1410547 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL21117651 | 0.84 | CYP4F2 (0.55) | ACLYACACBACACACYP4F2CYP4A11 | |
| SCHEMBL3267268 | 0.84 | ALDH1A1 (0.48) | ALDH1A1TSHR |
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-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |