Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25275373 | 0.82 | CA12 (0.39) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL16617685 | 0.79 | ABCB11 (0.38) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL11983792 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL20148897 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL28054406 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNA | |
| SCHEMBL5471180 | 0.77 | CA1 (0.44) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10208048 | 0.76 | TUBB1 (0.53) | CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL21166499 | 0.76 | CYP2D6 (0.37) | ALDH1A1MAPTGAALMNA | |
| SCHEMBL5998927 | 0.75 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL12606793 | 0.75 | CA12 (0.50) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017139689-A1 | DERIVATIVES OF BODIPY | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2017-08-17 | — | — | WO | disclosed |