Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL4695639 | 0.87 | ALDH1A1 (0.55) | KDM4EALDH1A1TSHRCYP3A4LIPG | |
| SCHEMBL29956436 | 0.87 | ALDH1A1 (0.55) | KDM4EALDH1A1TSHRCYP3A4LIPG | |
| SCHEMBL29954523 | 0.84 | CHRNB2 (0.58) | KDM4EALDH1A1LMNAGAAMAPK1 | |
| SCHEMBL14753645 | 0.78 | LIPG (0.47) | KDM4EALDH1A1TSHRCYP2D6CYP1A2 | |
| SCHEMBL27947483 | 0.77 | SMN1; SMN2 (0.50) | KDM4EALDH1A1CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL29956501 | 0.77 | KCNH2 (0.47) | KDM4EALDH1A1CXCR2TSHRCYP2D6 | |
| SCHEMBL29954574 | 0.77 | LPL (0.47) | KDM4ECXCR2CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL1839968 | 0.76 | CYP2D6 (0.49) | KDM4EALDH1A1TSHRCYP2D6CYP1A2 | |
| SCHEMBL30093206 | 0.75 | KDM4E (0.53) | KDM4EALDH1A1TSHRCYP2D6CYP1A2 | |
| SCHEMBL26085711 | 0.75 | CYP2D6 (0.39) | KDM4EALDH1A1TSHRCYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |