Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KHK | P50053 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16673467 | 0.80 | MAPT (0.55) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19651984 | 0.78 | MAOB (0.50) | MAPTKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL14661500 | 0.76 | PRKCQ (0.34) | — | |
| SCHEMBL21791907 | 0.75 | KHK (0.67) | MAPTHTTHPGDNPSR1KHK | |
| SCHEMBL18263433 | 0.74 | SLC6A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20325156 | 0.74 | CXCR4 (0.54) | HPGDKDM4EALDH1A1NPC1HSD17B10 | |
| SCHEMBL26077747 | 0.73 | MAPT (0.46) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9396667 | 0.72 | MAPT (0.75) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8373327 | 0.72 | MAPT (1.00) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29612398 | 0.72 | MAPT (0.75) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 |
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-2021203131-A1 | SUBSTITUTED PYRIMIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-10-07 | — | — | WO | disclosed |