Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | ICMT | O60725 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6237736 | 0.78 | CYP2D6 (0.57) | CYP2D6KMT2ALMNAPOLBAPAF1 | |
| SCHEMBL4226867 | 0.76 | ALOX15 (0.45) | ATMTDP1L3MBTL1TSHRALOX15 | |
| SCHEMBL23872457 | 0.74 | CYP2D6 (0.61) | CYP2D6KMT2ALMNAPOLBHSD17B10 | |
| SCHEMBL4921518 | 0.74 | CYP2D6 (0.61) | CYP2D6KMT2ALMNAPOLBHSD17B10 | |
| SCHEMBL28171482 | 0.74 | CYP2D6 (0.61) | CYP2D6KMT2APTGS2TRPA1LMNA | |
| SCHEMBL499471 | 0.74 | CYP2D6 (0.61) | CYP2D6KMT2ALMNAPOLBHSD17B10 | |
| SCHEMBL28393580 | 0.74 | CYP2D6 (0.52) | CYP2D6ALDH1A1POLB | |
| SCHEMBL11269397 | 0.74 | KDM4E (0.37) | ATMTDP1L3MBTL1TSHRALOX15 | |
| SCHEMBL14359738 | 0.73 | CYP2D6 (0.50) | CYP2D6TSHRALDH1A1KMT2AMAPT | |
| SCHEMBL23411628 | 0.73 | ATM (0.39) | CYP2D6ATMTDP1L3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005012210-A2 | ANTIMICROBIAL ACTIVE PREPARATIONS CONTAINING TERPENE DERIVATIVES | DR. ANDRE RIEKS - LABOR FÜR ENZYMTECHNOLOGIE GMBH (DE) | 2005-02-10 | — | — | WO | disclosed |