Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9062521 | 0.84 | CES2 (0.72) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL27575567 | 0.82 | TSHR (0.64) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL1572442 | 0.81 | MEN1 (0.76) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL31103641 | 0.81 | MEN1 (0.76) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL2584445 | 0.81 | TP53 (0.69) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL8935160 | 0.81 | TP53 (0.69) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL4908654 | 0.81 | MAPK1 (0.55) | ALDH1A1TSHRCES2CES1MAPT | |
| SCHEMBL18300806 | 0.81 | KMT2A (0.60) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL28459461 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL29003219 | 0.80 | CES2 (0.64) | ALDH1A1TSHRCES2CES1TP53 |
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-101417967-A | Histone deacetylase inhibitor, compounds thereof and use thereof | ZHEJIANG HISUN PHARMACEUTICAL (CN) | 2009-04-29 | — | — | CN | disclosed |