Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.34 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | DDO | Q99489 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30267575 | 0.80 | HCAR2 (0.56) | HCAR2ALDH1A1ATMMEN1KMT2A | |
| SCHEMBL2491694 | 0.76 | ALDH1A1 (0.59) | HCAR2ALDH1A1ATMKDM4ELMNA | |
| SCHEMBL1478348 | 0.76 | HCAR2 (0.52) | HCAR2ALDH1A1ATMKDM4EBCAT2 | |
| Hydrochloric Acid SCHEMBL30054224 | 0.74 | ALDH1A1 (0.57) | HCAR2ALDH1A1ATMKDM4ELMNA | |
| SCHEMBL13531226 | 0.74 | SERPINE1 (0.52) | HCAR2MEN1KMT2ALMNANPC1 | |
| SCHEMBL31522393 | 0.74 | ALDH1A1 (0.67) | HCAR2ALDH1A1ATMKMT2AF7 | |
| SCHEMBL671425 | 0.74 | ALDH1A1 (0.67) | HCAR2ALDH1A1ATMKMT2AF7 | |
| SCHEMBL28230523 | 0.74 | HCAR2 (0.45) | HCAR2ALDH1A1ATMMEN1KMT2A | |
| SCHEMBL4754993 | 0.73 | HCAR2 (0.48) | HCAR2ALDH1A1ATMBCAT2CYP2C9 | |
| SCHEMBL12997587 | 0.73 | POLB (0.60) | HCAR2ALDH1A1MEN1KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440769-A | A kind of porous copper coordination polymer and preparation method thereof of hydrogen bond connection | 同济大学 | 2018-08-24 | — | — | CN | disclosed |
| CN-101163696-B | Histone deacetylase inhibitors | CHROMA THERAPEUTICS LTD | 2011-09-14 | — | — | CN | disclosed |
| CN-101163696-A | Histone deacetylase inhibitors | CHROMA THERAPEUTICS LTD (GB) | 2008-04-16 | — | — | CN | disclosed |