Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4279785 | 0.84 | TDP1 (0.46) | TDP1ALDH1A1LMNAHSD17B10USP2 | |
| SCHEMBL202653 | 0.82 | — | — | |
| SCHEMBL7816892 | 0.80 | TDP1 (0.41) | TDP1ALDH1A1LMNAHSD17B10CNR1 | |
| SCHEMBL28994092 | 0.78 | TDP1 (0.39) | TDP1ALDH1A1LMNAHSD17B10CNR1 | |
| SCHEMBL4279004 | 0.77 | — | — | |
| SCHEMBL10835256 | 0.77 | — | — | |
| SCHEMBL28994093 | 0.75 | TDP1 (0.41) | TDP1ALDH1A1LMNAHSD17B10CNR1 | |
| SCHEMBL2858728 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL29171546 | 0.72 | TDP1 (0.38) | TDP1ALDH1A1LMNAHSD17B10CNR1 | |
| SCHEMBL11404250 | 0.72 | TDP1 (0.38) | TDP1ALDH1A1LMNAHSD17B10USP2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7930924-B2 | System for the online measurement of volatile and semi-volatile compounds and use thereof | VANCOUVER ISLAND UNIVERSITY (CA) | 2011-04-26 | — | — | US | disclosed |
| US-7579587-B2 | Thermally assisted membrane introduction mass spectrometry (MIMS) interface and method of use thereof | VANCOUVER ISLAND UNIVERSITY (CA) | 2009-08-25 | — | — | US | disclosed |
| US-20090084157-A1 | SYSTEM FOR THE ONLINE MEASUREMENT OF VOLATILE AND SEMI-VOLATILE COMPOUNDS AND USE THEREOF | MALASPINA UNIVERSITY-COLLEGE | 2009-04-02 | — | — | US | disclosed |
| US-20070181799-A1 | THERMALLY ASSISTED MEMBRANE INTRODUCTION MASS SPECTROMETRY (MIMS) INTERFACE AND METHOD OF USE THEREOF | MALASPINA UNIVERSITY-COLLEGE (CA) | 2007-08-09 | — | — | US | disclosed |
| US-4356295-A | COORDINATION CATALYSTS | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1982-10-26 | — | — | US | disclosed |