Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | PTGES | O14684 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23288525 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL23288563 | 0.89 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL23288502 | 0.82 | KMT2A (0.43) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL9435378 | 0.75 | CNR1 (0.56) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL10891080 | 0.72 | HDAC6 (0.63) | ALDH1A1MAPTTSHRRAB9APOLB | |
| SCHEMBL23288564 | 0.71 | KMT2A (0.47) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL4394346 | 0.70 | CASR (0.67) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL8923396 | 0.69 | HDAC6 (0.47) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL23288541 | 0.69 | KMT2A (0.44) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL10596306 | 0.69 | CA12 (0.61) | ALDH1A1MEN1KMT2AHTT |
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-2021081315-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS | THE BROAD INSTITUTE, INC. (US) | 2021-04-29 | — | — | WO | disclosed |