Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5179085 | 0.80 | TSHR (0.53) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL81393 | 0.79 | CYP2C9 (0.55) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL5050004 | 0.79 | TSHR (0.51) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL7200039 | 0.77 | RAB9A (0.49) | TSHRCYP2C19CYP2D6CYP2C9NPC1 | |
| SCHEMBL13116466 | 0.76 | TSHR (0.49) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL27890459 | 0.76 | TSHR (0.49) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL3494961 | 0.75 | HPGD (0.46) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL3960975 | 0.73 | TSHR (0.60) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL28328354 | 0.73 | TSHR (0.52) | TSHRCYP2C19CYP2D6CYP2C9DAO | |
| SCHEMBL22371932 | 0.73 | CTSK (0.49) | TSHRCYP2C19CYP2D6CYP2C9DAO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103459383-B | pyrazole compound | 财团法人国家卫生研究院 | 2016-06-22 | — | — | CN | disclosed |
| CN-103459383-A | Pyrazole compound | NAT HEALTH RESEARCH INSTITUTES | 2013-12-18 | — | — | CN | disclosed |
| CN-101535260-B | Thiophene compounds | NAT HEALTH RESEARCH INSTITUTES | 2012-07-04 | — | — | CN | disclosed |
| CN-101535260-A | Thiophene compounds | NAT HEALTH RESEARCH INSTITUTES (CN) | 2009-09-16 | — | — | CN | disclosed |