Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7224757 | 0.84 | BACE1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5735225 | 0.84 | ACACB (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6619617 | 0.73 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31075303 | 0.70 | NQO2 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31075219 | 0.69 | GRM2 (0.44) | CYP1A2CYP3A4MAPTSMN1; SMN2CYP2C9 | |
| SCHEMBL14641532 | 0.69 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23066425 | 0.67 | ESR1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1018742 | 0.67 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17544510 | 0.67 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16621371 | 0.67 | ALDH1A1 (0.46) | CA12CA1CA2CA7CA9 |
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-6531599-B2 | RAI=retinoic acid inducible; for example, 4-((8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro(2H-1-benzopyran-2,1' -cyclopropane)-6-yl) ethynyl)-2-fluoro-benzoic acid; use treating diseases responsive to retinoids | ALLERGAN SALES, INC. | 2003-03-11 | — | — | US | disclosed |