Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 4/20 | 0.53 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30008202 | 0.82 | KMT2A (0.47) | MEN1KMT2AHPGDLMNACA1 | |
| SCHEMBL30007554 | 0.82 | AVPR1A (0.47) | PAK1AXLPIK3CACAMKK2CA1 | |
| SCHEMBL30007804 | 0.81 | ALDH1A1 (0.46) | AXLHPGDKDM4EALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL30007576 | 0.78 | AXL (0.54) | AXLPIK3CACYP2C9CYP2C19CAMKK2 | |
| SCHEMBL30008314 | 0.76 | AXL (0.67) | AXLPIK3CACYP2C9CYP2C19CAMKK2 | |
| SCHEMBL30007824 | 0.76 | CHRM2 (0.44) | PAK1HPGDKDM4EPIK3CAALDH1A1 | |
| SCHEMBL30007677 | 0.74 | AXL (0.50) | AXLPIK3CACAMKK2 | |
| SCHEMBL14575797 | 0.72 | PIK3CA (0.40) | PIK3CAATM | |
| SCHEMBL30007265 | 0.72 | AVPR1A (0.49) | PAK1AXLPIK3CACYP2C9CYP2C19 | |
| SCHEMBL14616581 | 0.70 | LMNA (0.42) | MEN1KMT2AKDM4ESMN1; SMN2HTT |
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 |