Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | FDPS | P14324 | 2/20 | 0.50 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.46 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.46 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nicotinyl Alcohol SCHEMBL30741338 | 0.85 | KDM4E (0.66) | NAPRTCYP1A2CYP3A4CYP2C9KDM4E | |
| Picolamine SCHEMBL27476690 | 0.84 | NAPRT (0.59) | NAPRTCYP1A2CYP3A4CYP2C9KDM4E | |
| Trifluoroacetic Acid SCHEMBL3488054 | 0.83 | CYP1A2 (0.56) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| Picolamine SCHEMBL28291842 | 0.82 | NAPRT (0.56) | NAPRTCYP1A2CYP3A4CYP2C9KDM4E | |
| Trifluoroacetic Acid SCHEMBL27502761 | 0.82 | TBXAS1 (0.68) | NAPRTCYP1A2CYP3A4CYP2C9FDPS | |
| Picolamine SCHEMBL30046657 | 0.82 | — | — | |
| Picolamine SCHEMBL17850 | 0.82 | — | — | |
| Picolamine SCHEMBL29394769 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL20548097 | 0.81 | TBXAS1 (0.53) | NAPRTCYP1A2CYP3A4CYP2C9KDM4E | |
| Niacin SCHEMBL27947451 | 0.80 | GAA (0.70) | NAPRTCYP1A2CYP3A4CYP2C9KDM4E |
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-115103709-A | MASP-2 inhibitors and methods of use | 奥默罗斯公司 | 2022-09-23 | — | — | CN | disclosed |