Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL27949431 | 0.85 | CA14 (0.52) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27637806 | 0.84 | CA12 (0.58) | CA12CA2CA9CA14CA1 | |
| SCHEMBL59477 | 0.84 | — | — | |
| SCHEMBL31167436 | 0.84 | — | — | |
| Phenol SCHEMBL27620170 | 0.83 | CA14 (0.46) | CA12CA2CA9CA14CA1 | |
| Methane SCHEMBL27494474 | 0.82 | ALDH1A1 (0.41) | TDP1ALOX15TSHRCES2BCHE | |
| Hydrochloric Acid SCHEMBL22263487 | 0.82 | CYP3A4 (0.41) | TDP1ALOX15TSHRCES2BCHE | |
| Phenol SCHEMBL27889282 | 0.80 | CA14 (0.52) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28802800 | 0.80 | TDP1 (0.45) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27620156 | 0.77 | CA14 (0.48) | CA12CA2CA9CA14CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102256493-A | Cyclopropane amides and analogs exhibiting anti-cancer and anti-proliferative activities | DECIPHERA PHARMACEUTICALS LLC | 2011-11-23 | — | — | CN | disclosed |