Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.31 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9778988 | 0.85 | CYP2A6 (0.53) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL9537651 | 0.83 | CYP2A6 (0.51) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL9537870 | 0.76 | CYP2A6 (0.46) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL11556458 | 0.76 | CYP1A2 (0.41) | CYP2A6KMT2AALDH1A1TSHR | |
| SCHEMBL9525904 | 0.74 | CYP2A6 (0.47) | CYP2A6ERN1MEN1KMT2ALMNA | |
| SCHEMBL9527033 | 0.73 | CYP2A6 (0.47) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL28859068 | 0.73 | MAPT (0.43) | CYP2A6 | |
| SCHEMBL419485 | 0.72 | ERN1 (0.51) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL29388348 | 0.72 | ERN1 (0.51) | CYP2A6MCL1ERN1MEN1KMT2A | |
| SCHEMBL2261401 | 0.69 | CYP2A6 (1.00) | CYP2A6ERN1MEN1KMT2ALMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183439-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-02-03 | — | — | EP | disclosed |
| US-5075455-A | Microbiocides, antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5049581-A | Dibenzofurans having anti-tumor activity | BURROUGHS WELLCOME CO. (US) | 1991-09-17 | — | — | US | disclosed |
| US-5017600-A | Antitumor | BURROUGHS WELLCOME CO. (US) | 1991-05-21 | — | — | US | disclosed |
| US-5008286-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-04-16 | — | — | US | disclosed |
| US-4970227-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1990-11-13 | — | — | US | disclosed |
| US-4965285-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-10-23 | — | — | US | disclosed |
| US-4866070-A | ANTITUMOR AGENT | BURROUGHS WELLCOME CO. (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0183439-A2 | Polycyclic compounds, their preparation and use and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-06-04 | — | — | EP | disclosed |