Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30302167 | 0.85 | KDM4E (0.44) | KDM4EOPRM1OPRD1MAP3K5ALDH1A1 | |
| SCHEMBL14543239 | 0.83 | KDM4E (0.48) | KDM4EOPRM1OPRD1MAP3K5HDAC4 | |
| SCHEMBL2305835 | 0.78 | KDM4E (0.55) | KDM4EOPRM1OPRD1MAP3K5ALDH1A1 | |
| SCHEMBL7108522 | 0.77 | SMO (0.40) | OPRM1HTR2CHDAC4CYP11B2PDK2 | |
| SCHEMBL12424206 | 0.74 | ALDH1A1 (0.50) | KDM4EOPRD1MAP3K5ALDH1A1RAB9A | |
| SCHEMBL26676066 | 0.73 | ALDH1A1 (0.50) | KDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL1683773 | 0.72 | KDM4E (0.48) | KDM4EMAP3K5ALDH1A1TSHRRAB9A | |
| SCHEMBL11104657 | 0.72 | KDM4E (0.48) | KDM4EMAP3K5ALDH1A1TSHR | |
| SCHEMBL9014099 | 0.71 | ALOX15 (0.47) | KDM4EMAP3K5ALDH1A1HDAC3HDAC1 | |
| SCHEMBL17297335 | 0.71 | ALDH1A1 (0.41) | KDM4EHTR2CHDAC4ALDH1A1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400121-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER | Toray Industries, Inc. (JP) | 2024-07-17 | — | — | EP | disclosed |
| WO-2023033129-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER | 東レ株式会社 | 2023-03-09 | — | — | WO | disclosed |