Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL24508666 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073725 | 0.80 | CYP3A4 (0.62) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073741 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073845 | 0.73 | CYP3A4 (0.82) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073934 | 0.73 | ROCK2 (0.57) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073504 | 0.72 | KMT2A (0.63) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073742 | 0.72 | RAB9A (0.64) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL18770343 | 0.71 | CYP3A4 (0.80) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073522 | 0.71 | KMT2A (0.60) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 | |
| SCHEMBL14073898 | 0.71 | CYP3A4 (0.59) | CYP3A4CYP19A1CYP2C9KMT2ACYP1A2 |
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-2022123039-A1 | ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2022-06-16 | — | — | WO | disclosed |