Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763014 | 0.90 | ALDH1A1 (0.51) | ESR1CYP1A2LMNACYP3A4SMN1; SMN2 | |
| SCHEMBL3056656 | 0.88 | CA12 (0.56) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL6394479 | 0.88 | CA12 (0.56) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL9763407 | 0.86 | CYP4A11 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9763584 | 0.85 | ALDH1A1 (0.51) | ESR1ESR2CYP1A2LMNACYP3A4 | |
| SCHEMBL348611 | 0.82 | CA1 (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL9763639 | 0.81 | RARB (0.50) | THRATHRBCYP4A11CYP4F2MAPT | |
| SCHEMBL9763633 | 0.80 | SPHK1 (0.44) | LMNATHRATHRBALDH1A1KMT2A | |
| SCHEMBL7042805 | 0.80 | L3MBTL1 (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL8942511 | 0.80 | L3MBTL1 (0.59) | CA12CA1CA2ESR1CA7 |
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-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |