Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14752307 | 1.00 | ALDH1A1 (0.41) | ALDH1A1ERN1TDP1ABL1ABCB1 | |
| SCHEMBL2566805 | 1.00 | ALDH1A1 (0.41) | ALDH1A1ERN1TDP1ABL1ABCB1 | |
| SCHEMBL14752298 | 0.95 | ERN1 (0.40) | ALDH1A1ERN1TDP1ABL1ABCB1 | |
| SCHEMBL14752311 | 0.86 | NPC1 (0.42) | ALDH1A1ERN1TDP1MAPTNPC1 | |
| SCHEMBL14735933 | 0.85 | HSD11B1 (0.46) | ALDH1A1ERN1KMT2AMEN1KDM4E | |
| SCHEMBL14735934 | 0.85 | HSD11B1 (0.46) | ALDH1A1ERN1KMT2AMEN1KDM4E | |
| SCHEMBL16805416 | 0.81 | NPC1 (0.45) | ALDH1A1ERN1TDP1NPC1MTOR | |
| SCHEMBL21356232 | 0.78 | ABL1 (0.37) | ALDH1A1ERN1TDP1ABL1ABCB1 | |
| SCHEMBL21356233 | 0.78 | ABL1 (0.37) | ALDH1A1ERN1TDP1ABL1ABCB1 | |
| SCHEMBL6603875 | 0.77 | ALDH1A1 (0.38) | ALDH1A1ERN1TDP1KMT2AMEN1 |
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-2011127383-A2 | BORON-CONTAINING PI-ELECTRON MATERIALS INCORPORATING FORMALLY AROMATIC AND NEUTRAL BOREPIN RINGS | THE JOHNS HOPKINS UNIVERSITY (US) | 2011-10-13 | — | — | WO | disclosed |