Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.76 |
| ▸ | CA1 | P00915 | 6/20 | 0.76 |
| ▸ | CA2 | P00918 | 6/20 | 0.76 |
| ▸ | CA7 | P43166 | 6/20 | 0.76 |
| ▸ | CA9 | Q16790 | 6/20 | 0.76 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 3/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2810136 | 0.89 | NPC1 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1278720 | 0.89 | NPC1 (0.68) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL9156219 | 0.87 | NPC1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL39026 | 0.87 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL475700 | 0.87 | CA12 (0.92) | CA12CA1CA2CA7CA9 | |
| SCHEMBL584117 | 0.84 | NPC1 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL330220 | 0.82 | NPC1 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29944879 | 0.82 | NPC1 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29649183 | 0.82 | NPC1 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16769678 | 0.82 | NPC1 (0.60) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2005085189-A2 | ANALOGUES OF CONGO RED AND EVALUATION OF THEIR ANTI-PRION ACTIVITY | MEDICAL RESEARCH COUNCIL (GB) | 2005-09-15 | — | — | WO | disclosed |