Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.77 |
| ▸ | CA2 | P00918 | 3/20 | 0.77 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23150 | 0.88 | CA1 (1.00) | CA1CA2ENPP2CYP2A6TDP1 | |
| SCHEMBL29612616 | 0.88 | CA1 (1.00) | CA1CA2ENPP2CYP2A6TDP1 | |
| Hydrochloric Acid SCHEMBL27818196 | 0.86 | CA1 (0.95) | CA1CA2ENPP2CYP2A6TDP1 | |
| SCHEMBL1153498 | 0.81 | CA1 (0.86) | CA1CA2ENPP2TDP1CYP1A2 | |
| SCHEMBL29952033 | 0.81 | CA1 (0.86) | CA1CA2ENPP2TDP1CYP1A2 | |
| SCHEMBL21352794 | 0.81 | CA1 (0.86) | CA1CA2ENPP2TDP1CYP1A2 | |
| SCHEMBL3418284 | 0.80 | CA1 (0.83) | CA1CA2ENPP2CYP1A2MGLL | |
| SCHEMBL30787956 | 0.80 | CA1 (0.83) | CA1CA2ENPP2CYP1A2MGLL | |
| Naphthalene SCHEMBL29002110 | 0.79 | CYP2A6 (0.44) | CA1CA2ENPP2CYP2A6TDP1 | |
| SCHEMBL205203 | 0.78 | CA2 (0.80) | CA1CA2ENPP2CA4CA6 |
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-108715584-B | Fluorescent molecule with N-pyridine-2- (1H) -nitrile imine as mother nucleus, and preparation and application thereof | 四川大学华西医院 | 2021-06-25 | — | — | CN | disclosed |