Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K8 | P41279 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | WDR5 | P61964 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 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 | |
|---|---|---|---|---|
| SCHEMBL10883557 | 0.74 | GAA (0.51) | MAP3K8KMT2AWDR5KDM4EALDH1A1 | |
| SCHEMBL10882622 | 0.73 | WDR5 (0.49) | MAP3K8KMT2AWDR5SMN1; SMN2HRH2 | |
| SCHEMBL14035880 | 0.71 | KDM4E (0.50) | ADRA2AADRA2CKMT2AKDM4EALDH1A1 | |
| SCHEMBL10881527 | 0.68 | HRH2 (0.43) | MAP3K8ADRA2CKMT2AWDR5SMN1; SMN2 | |
| SCHEMBL14609411 | 0.67 | ALDH1A1 (0.49) | ADRA2AADRA2CKMT2AKDM4EALDH1A1 | |
| SCHEMBL11383611 | 0.67 | — | — | |
| SCHEMBL18669065 | 0.67 | NPC1 (0.49) | ADRA2AADRA2CKMT2AKDM4EALDH1A1 | |
| SCHEMBL10883114 | 0.66 | MAP3K8 (0.43) | MAP3K8ADRA2AADRA2CKMT2AWDR5 | |
| SCHEMBL10309415 | 0.65 | ADRA2A (0.52) | ADRA2AADRA2CKMT2AKDM4EALDH1A1 | |
| SCHEMBL10885778 | 0.65 | TP53 (0.47) | ADRA2CKMT2AWDR5ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2802328-B1 | TRYPTOLINE DERIVATIVES HAVING KINASE INHIBITORY ACTIVITY AND USES THEREOF | X-CHEM INC (US) | 2018-03-07 | — | — | EP | disclosed |