Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | G6PD | P11413 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL69213 | 0.89 | CYP3A4 (0.50) | CYP3A4HPGDCLK1GSK3BDYRK1A | |
| SCHEMBL9732800 | 0.87 | ALDH1A1 (0.50) | CLK1GSK3BDYRK1ACLK4DYRK1B | |
| SCHEMBL5891799 | 0.82 | CYP3A4 (0.50) | CYP3A4CLK1GSK3BDYRK1ACLK4 | |
| SCHEMBL11141699 | 0.82 | MAPT (0.49) | CYP3A4HPGDCLK1GSK3BDYRK1A | |
| SCHEMBL1285396 | 0.81 | CYP3A4 (0.44) | CYP3A4DYRK1ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL5426133 | 0.81 | ALDH1A1 (0.46) | CYP3A4HPGDCLK1GSK3BDYRK1A | |
| SCHEMBL28842339 | 0.80 | NQO2 (0.42) | CYP3A4HPGDPOLBKMT2ASMN1; SMN2 | |
| SCHEMBL6371448 | 0.79 | ALDH1A1 (0.47) | HPGDKMT2ASMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL8872230 | 0.78 | PKM (0.55) | HPGDPOLBKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL31538466 | 0.77 | GPR35 (0.50) | DYRK1AALDH1A1TDP1TSHRMCL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0938474-B1 | CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS | AUCKLAND UNISERVICES LTD (NZ) | 2005-11-23 | — | — | EP | disclosed |
| US-6130237-A | Condensed N-aclyindoles as antitumor agents | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-10-10 | — | — | US | disclosed |
| EP-0938474-A2 | CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998011101-A2 | CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1998-03-19 | — | — | WO | disclosed |