Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29965183 | 0.79 | CYP19A1 (0.35) | CYP19A1TP53ALDH1A1LMNAMAPK1 | |
| SCHEMBL29965415 | 0.73 | NPC1 (0.54) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL6567074 | 0.71 | ALDH1A1 (0.52) | ABCB1ALDH1A1BCHEMEN1KMT2A | |
| SCHEMBL16018989 | 0.69 | ABCB1 (0.68) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| Water SCHEMBL8980729 | 0.66 | RXRA (0.52) | NPC1RAB9AABCB1TP53HTT | |
| SCHEMBL12358221 | 0.66 | NPC1 (0.65) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL12465690 | 0.65 | ALDH1A1 (0.48) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL30449333 | 0.65 | CYP19A1 (0.56) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL22193705 | 0.65 | ABCB1 (0.70) | HTR1AADRA1DADRA1AADRA1BNPC1 | |
| SCHEMBL12301149 | 0.64 | ABCB1 (0.60) | HTR1AADRA1DADRA1AADRA1BNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115244037-A | Substituted triazinones as thyroid hormone receptor agonists | 上海诚益生物科技有限公司 | 2022-10-25 | — | — | CN | disclosed |