Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | F2 | P00734 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.31 |
| ▸ | FOS | P01100 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28135095 | 0.76 | TSHR (0.45) | TSHRKMT2AALDH1A1GAAPOLB | |
| SCHEMBL15484828 | 0.69 | ALDH1A1 (0.43) | TSHRKMT2AALDH1A1GAACCR1 | |
| SCHEMBL9969947 | 0.69 | ALDH1A1 (0.39) | KMT2AALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL27869600 | 0.68 | LMNA (0.49) | TSHRKMT2AALDH1A1GAAPOLB | |
| SCHEMBL28135736 | 0.68 | TSHR (0.37) | TSHRKMT2AALDH1A1GAAPOLB | |
| SCHEMBL15492957 | 0.67 | L3MBTL1 (0.40) | TSHRKMT2AALDH1A1GAAPOLB | |
| SCHEMBL28225622 | 0.66 | ALDH1A1 (0.33) | KMT2AALDH1A1FOSJUNNFKB1 | |
| SCHEMBL4781697 | 0.65 | HTT (0.35) | KMT2AALDH1A1POLBCYP1A2CYP2C19 | |
| SCHEMBL15491702 | 0.64 | ALDH1A1 (0.38) | KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL18467791 | 0.61 | PTGS1 (0.31) | KMT2AALDH1A1 |
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-104955454-B | Chemokine receptor anagonists | 凯莫森特里克斯股份有限公司 | 2018-06-29 | — | — | CN | disclosed |