Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.61 |
| ▸ | CETP | P11597 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28258088 | 0.84 | CETP (0.77) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL28256535 | 0.84 | CETP (0.77) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL12323604 | 0.84 | CETP (0.77) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL7659475 | 0.80 | HDAC3 (0.59) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL18046737 | 0.79 | HDAC1 (0.55) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL18046740 | 0.79 | HDAC1 (0.55) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL7665421 | 0.78 | HDAC3 (0.57) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL18047169 | 0.78 | SMN1; SMN2 (0.60) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL18047166 | 0.78 | SMN1; SMN2 (0.60) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 | |
| SCHEMBL29954097 | 0.78 | ALDH1A1 (0.54) | HDAC3HDAC1HDAC2CETPSMN1; SMN2 |
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-101679273-A | 1-substituted tetrahydroisoquinoline compound | ASTELLAS PHARMA INC | 2010-03-24 | — | — | CN | disclosed |