Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.83 |
| ▸ | RAB9A | P51151 | 11/20 | 0.83 |
| ▸ | MEN1 | O00255 | 4/20 | 0.83 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.74 |
| ▸ | HPGD | P15428 | 6/20 | 0.74 |
| ▸ | GAA | P10253 | 4/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.71 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.71 |
| ▸ | RELA | Q04206 | 2/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL2303449 | 0.90 | NPC1 (0.79) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL2755213 | 0.88 | RAB9A (0.83) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL18825755 | 0.80 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL235812 | 0.79 | NPC1 (0.80) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL31115742 | 0.78 | MEN1 (0.70) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL236832 | 0.78 | NPC1 (0.78) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL238859 | 0.78 | NPC1 (0.78) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL31115734 | 0.78 | MEN1 (0.58) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL22983144 | 0.76 | MEN1 (0.61) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL2755212 | 0.76 | RAB9A (0.65) | NPC1RAB9AMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010086040-A1 | PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY | BIOMARIN IGA, LTD. (BS) | 2010-08-05 | — | — | WO | claimed |
| WO-2010086040-A1 | PYRAZOLO-PYRIMIDINES FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY | BIOMARIN IGA, LTD. (BS) | 2010-08-05 | — | — | WO | disclosed |