Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL29376605 | 0.93 | — | — | |
| SCHEMBL4647 | 0.93 | — | — | |
| Naphthalene SCHEMBL28303009 | 0.92 | CA1 (0.42) | ENPP2CA4CA6CA5ACA7 | |
| Water SCHEMBL13835615 | 0.91 | ENPP2 (0.46) | ENPP2CA4CA6CA5ACA7 | |
| SCHEMBL28265047 | 0.91 | ENPP2 (0.46) | ENPP2CA4CA6CA5ACA7 | |
| Hydrochloric Acid SCHEMBL7002225 | 0.91 | ENPP2 (0.46) | ENPP2CA4CA6CA5ACA7 | |
| SCHEMBL28612539 | 0.87 | MGLL (0.46) | ENPP2CA4CA6CA5ACA7 | |
| Phenylboronic Acid SCHEMBL1668705 | 0.87 | CA4 (0.61) | ENPP2CA4CA6CA5ACA7 | |
| SCHEMBL5498992 | 0.82 | TSHR (0.40) | ENPP2CA4CA6CA5ACA7 | |
| SCHEMBL20600817 | 0.82 | CA4 (0.38) | ENPP2CA4CA6CA5ACA7 |
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-7923457-B2 | Quinoline derivatives | AGOURON PHARMACEUTICALS INC. (US) | 2011-04-12 | — | — | US | disclosed |