Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | TNIK | Q9UKE5 | 8/20 | 0.44 |
| ▸ | IL2 | P60568 | 1/20 | 0.42 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SGK1 | O00141 | 2/20 | 0.39 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30007820 | 0.83 | TNIK (0.41) | TNIKMAP4K1SGK1METIKBKB | |
| SCHEMBL30007554 | 0.82 | AVPR1A (0.47) | IL2MAP4K1SGK1CAMKK2IKBKB | |
| SCHEMBL30007952 | 0.76 | DRD4 (0.59) | DRD2DRD4DRD3HTR2AINSR | |
| SCHEMBL30007738 | 0.75 | KDM5A (0.42) | ALDH1A1 | |
| SCHEMBL30007265 | 0.72 | AVPR1A (0.49) | IL2MAP4K1SGK1CAMKK2MAP3K11 | |
| Hydrochloric Acid SCHEMBL30007576 | 0.70 | AXL (0.54) | SGK1CAMKK2 | |
| SCHEMBL30007804 | 0.69 | ALDH1A1 (0.46) | TNIKMAP3K11KDM4EALDH1A1 | |
| SCHEMBL30007677 | 0.69 | AXL (0.50) | SGK1CAMKK2FLT3MAP3K11 | |
| SCHEMBL30007672 | 0.67 | PAK1 (0.53) | CAMKK2KDM4EALDH1A1 | |
| SCHEMBL30008314 | 0.67 | AXL (0.67) | SGK1CAMKK2 |
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-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | claimed |
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |