Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | ERCC1 | P07992 | 4/20 | 0.59 |
| ▸ | ERCC4 | Q92889 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.57 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1143282 | 0.85 | ALDH1A1 (0.64) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL1143378 | 0.83 | ALDH1A1 (0.62) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL17914676 | 0.83 | ALDH1A1 (0.62) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL12366171 | 0.83 | ALDH1A1 (0.58) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL12354898 | 0.82 | ALDH1A1 (0.74) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL17372538 | 0.82 | ALDH1A1 (0.61) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL1143386 | 0.81 | ALDH1A1 (0.59) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL697972 | 0.81 | ALDH1A1 (0.63) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL10900021 | 0.81 | ALDH1A1 (0.59) | ALDH1A1ERCC1ERCC4NPC1RAB9A | |
| SCHEMBL23135793 | 0.80 | TDP1 (0.60) | ALDH1A1ERCC1ERCC4NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6629040-B1 | Identifying specific masses of compounds in a complex mixture. In particular, the present invention describes an isotope distribution encoded tag (IDEnT) concept wherein the ability to distinguish an analyte encoded with a non-native isotope | UNIVERSITY OF WASHINGTON | 2003-09-30 | — | — | US | disclosed |