Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | DOT1L | Q8TEK3 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30903381 | 0.80 | CASP6 (0.52) | CASP6NR4A2HTTCYP1A2CYP2C19 | |
| SCHEMBL6110081 | 0.80 | HTT (0.47) | CASP6NR4A2HTTCYP1A2CYP2C19 | |
| SCHEMBL24971013 | 0.80 | CASP6 (0.52) | CASP6NR4A2HTTCYP1A2CYP2C19 | |
| SCHEMBL29987120 | 0.77 | CASP6 (0.58) | CASP6NR4A2HTTALDH1A1DOT1L | |
| SCHEMBL28164395 | 0.74 | TDP1 (0.59) | CYP1A2ALDH1A1NPC1RAB9APOLB | |
| SCHEMBL28370443 | 0.73 | CASP6 (0.62) | CASP6NR4A2HTTCYP1A2CYP2C19 | |
| SCHEMBL29812521 | 0.73 | PDGFRB (0.59) | CASP6HTTCYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL28244742 | 0.72 | KDM4E (0.46) | HTTCYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL1750620 | 0.71 | CASP6 (0.71) | CASP6NR4A2HTTCYP1A2CYP2C19 | |
| SCHEMBL20272948 | 0.70 | ALDH1A1 (0.54) | CASP6NR4A2HTTCYP1A2CYP2C19 |
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-102007125-B | fused heterocyclic derivatives and methods of use | AMGEN INC. (US) | 2016-05-25 | — | — | CN | disclosed |