Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17514845 | 0.86 | HSD11B1 (0.48) | HSD11B1TRPA1TRPM8TRPV1 | |
| SCHEMBL17514962 | 0.86 | HSD11B1 (0.48) | HSD11B1KDM4ECYP3A4PDK2TRPA1 | |
| SCHEMBL435069 | 0.80 | AHR (0.42) | HSD11B1KDM4EAHRCYP3A4TSHR | |
| SCHEMBL436977 | 0.79 | HSD11B1 (0.43) | HSD11B1KDM4EAHRTSHRMAPK1 | |
| SCHEMBL6513958 | 0.77 | ACHE (0.35) | KDM4EALDH1A1MEN1CYP1A2POLB | |
| SCHEMBL15637459 | 0.76 | HSD11B1 (0.42) | HSD11B1KDM4EAHRTSHRALDH1A1 | |
| SCHEMBL16720299 | 0.76 | HSD17B10 (0.44) | HSD11B1AHRCYP3A4TSHRMAPK1 | |
| SCHEMBL3636361 | 0.74 | HSD11B1 (0.42) | HSD11B1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL2357011 | 0.74 | AHR (0.33) | AHRCYP1A2 | |
| SCHEMBL2052765 | 0.73 | CHRM5 (0.35) | HSD11B1PDK2TRPA1 |
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-0853764-A1 | COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY | ARQULE, INC. (US) | 1998-07-22 | — | — | EP | disclosed |
| WO-1996035953-A1 | COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY | ARQULE, INC. (US) | 1996-11-14 | — | — | WO | disclosed |