Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 5/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29382907 | 0.82 | VCAM1 (0.56) | VCAM1MAPTHPGDPIN1ALDH1A1 | |
| SCHEMBL56638 | 0.82 | VCAM1 (0.56) | VCAM1MAPTHPGDPIN1ALDH1A1 | |
| Selenium SCHEMBL9501261 | 0.81 | VCAM1 (0.55) | VCAM1MAPTHPGDPIN1ALDH1A1 | |
| 2-Nitrobenzaldehyde SCHEMBL28865451 | 0.75 | ERN1 (0.63) | ERN1MAPTSMN1; SMN2NPC1RAB9A | |
| 2-Nitrobenzaldehyde SCHEMBL27865472 | 0.74 | ERN1 (0.54) | ERN1MAPTRAB9AHPGDALDH1A1 | |
| SCHEMBL28292960 | 0.73 | S100A4 (0.46) | VCAM1MAPTSMN1; SMN2HPGDPIN1 | |
| Phenol SCHEMBL28138934 | 0.73 | VCAM1 (0.47) | VCAM1MAPTHPGDPIN1ALDH1A1 | |
| SCHEMBL2416462 | 0.73 | ERN1 (0.57) | ERN1MAPTSMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL9685477 | 0.73 | ERN1 (0.45) | VCAM1ERN1MAPTSMN1; SMN2HPGD | |
| 2-Nitrobenzaldehyde SCHEMBL5654 | 0.73 | ERN1 (0.66) | ERN1MAPTSMN1; SMN2NPC1RAB9A |
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-2529388-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | Micromass UK Limited (GB) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011092515-A1 | FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY | MICROMASS UK LIMITED (GB) | 2011-08-04 | — | — | WO | disclosed |