Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 8/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28662303 | 0.85 | CYP2A13 (0.59) | CYP2A13CYP2C9ALOX15HSD17B10MPO | |
| SCHEMBL3378848 | 0.85 | KDM4E (0.67) | CYP2A13MPOCYP2D6CYP2C19KDM4E | |
| SCHEMBL10665335 | 0.83 | KDM4E (0.70) | CYP2A13MPOCYP2D6CYP2C19KDM4E | |
| SCHEMBL4105461 | 0.83 | CYP2A13 (1.00) | CYP2A13CYP2C9ALOX15HSD17B10KDM4E | |
| SCHEMBL4327006 | 0.83 | MPO (0.75) | CYP2A13CYP2C9ALOX15HSD17B10MPO | |
| SCHEMBL10787841 | 0.81 | MPO (0.72) | CYP2A13CYP2C9ALOX15HSD17B10MPO | |
| SCHEMBL7114819 | 0.81 | KDM4E (0.64) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 | |
| SCHEMBL13849993 | 0.81 | CYP2A13 (0.71) | CYP2A13CYP2C9ALOX15HSD17B10KDM4E | |
| SCHEMBL18190587 | 0.81 | CYP2A13 (0.71) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 | |
| SCHEMBL18190447 | 0.81 | CYP2A13 (0.71) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107082782-A | Substituted xanthine and its application method | 海德拉生物科学有限公司 | 2017-08-22 | — | — | CN | disclosed |
| CN-105143229-B | Substituted xanthines and methods of use thereof | 海德拉生物科学有限公司 | 2017-06-30 | — | — | CN | disclosed |