Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28105822 | 0.88 | ALDH1A1 (0.59) | TRPV1ALDH1A1MAPTMMP12PKM | |
| SCHEMBL12362001 | 0.81 | KIF11 (0.56) | KIF11TRPV1ALDH1A1MAPTCYP11B1 | |
| SCHEMBL23432581 | 0.79 | KIF11 (0.54) | KIF11TRPV1ALDH1A1MAPTCYP11B1 | |
| SCHEMBL3027487 | 0.78 | CYP11B1 (0.50) | KIF11TRPV1ALDH1A1MAPTCYP11B1 | |
| SCHEMBL6297431 | 0.77 | KIF11 (0.62) | KIF11TRPV1ALDH1A1MAPTCYP11B1 | |
| SCHEMBL3594625 | 0.76 | MMP12 (0.51) | KIF11ALDH1A1MAPTCYP11B1CYP11B2 | |
| SCHEMBL4578101 | 0.75 | TRPV1 (0.56) | KIF11TRPV1ALDH1A1MAPTCYP11B1 | |
| SCHEMBL10269414 | 0.75 | KIF11 (0.60) | KIF11TRPV1CYP11B1CYP11B2IDH1 | |
| SCHEMBL17315403 | 0.75 | KIF11 (0.54) | KIF11TRPV1ALDH1A1MAPTCYP11B1 | |
| SCHEMBL9033589 | 0.75 | PARP1 (0.55) | KIF11MAPTCYP11B1CYP11B2CYP3A4 |
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 |