Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5769398 | 0.83 | CYP1A2 (0.43) | CHRM5GRM2ADRA1DADRA1AADRA1B | |
| SCHEMBL5793964 | 0.82 | FAAH (0.49) | CASP3KDM4ETSHRMEN1KMT2A | |
| SCHEMBL5768580 | 0.81 | MEN1 (0.55) | KDM4ETSHRUSP2POLBMEN1 | |
| SCHEMBL6100789 | 0.81 | CMA1 (0.53) | CHRM5CASP3KDM4ELMNAMEN1 | |
| SCHEMBL5766283 | 0.80 | MEN1 (0.39) | ADRA1DADRA1AADRA1BKDM4ETSHR | |
| SCHEMBL6100794 | 0.80 | FYN (0.43) | CHRM5GRM2FYNSLC13A5 | |
| SCHEMBL4158780 | 0.77 | CYP1A2 (0.43) | CASP3TSHRLMNAMEN1CYP1A2 | |
| SCHEMBL6099606 | 0.77 | GAA (0.41) | MEN1GAAKMT2A | |
| SCHEMBL4150996 | 0.77 | CYP1A2 (0.51) | CASP3LMNAPOLBCYP1A2CYP2C19 | |
| SCHEMBL6100796 | 0.76 | PTPN1 (0.42) | CHRM5CASP3MEN1KMT2A |
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-1625130-A2 | HIV INTEGRASE INHIBITORS | Tibotec Pharmaceuticals Ltd. (IE) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004096807-A2 | HIV INTEGRASE INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2004-11-11 | — | — | WO | disclosed |