Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21541035 | 0.81 | ALDH1A1 (0.34) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL23007992 | 0.80 | ALDH1A1 (0.31) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL13636953 | 0.79 | ALDH1A1 (0.34) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL19882382 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL22621253 | 0.78 | TSHR (0.38) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL21011837 | 0.77 | TSHR (0.45) | ALDH1A1TSHRKDM4EHSD17B10 | |
| SCHEMBL24982752 | 0.76 | GAPDH (0.31) | ALDH1A1CES2CES1 | |
| SCHEMBL22043673 | 0.75 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL19003436 | 0.75 | NPSR1 (0.36) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL14529798 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1782837-A2 | Hapten-carrier conjugates for use in drug-abuse therapy (nicotine) | Xenova Research Limited (GB) | 2007-05-09 | — | — | EP | disclosed |