Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29437038 | 0.88 | TSHR (0.72) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL6756802 | 0.88 | TSHR (0.72) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL29437009 | 0.88 | TSHR (0.79) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL441825 | 0.88 | TSHR (0.79) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL5069212 | 0.86 | TSHR (0.82) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL18045563 | 0.86 | TSHR (0.82) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL865529 | 0.86 | TSHR (0.82) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL18045545 | 0.86 | TSHR (0.82) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL867463 | 0.86 | TSHR (0.82) | TSHRCYP3A4TP53MAOBAPP | |
| SCHEMBL18045584 | 0.86 | TSHR (0.82) | TSHRCYP3A4TP53MAOBAPP |
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-2838502-B1 | WATER RESISTANT COMPOSITIONS CONTAINING A HETEROCYCLIC COMPOUND AND AN ALKOXYSILANE | L'ORÉAL (FR) | 2018-02-14 | — | — | EP | disclosed |