Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.96 |
| ▸ | ACHE | P22303 | 2/20 | 0.96 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL15320998 | 1.00 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 | |
| SCHEMBL31183022 | 0.98 | TSHR (1.00) | TSHRACHELMNANFE2L2ALDH1A1 | |
| SCHEMBL92055 | 0.98 | TSHR (1.00) | TSHRACHELMNANFE2L2ALDH1A1 | |
| SCHEMBL2486973 | 0.98 | TSHR (1.00) | TSHRACHELMNANFE2L2ALDH1A1 | |
| Methane SCHEMBL27860742 | 0.96 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11149191 | 0.96 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 | |
| SCHEMBL32667964 | 0.96 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 | |
| SCHEMBL9734443 | 0.96 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27653572 | 0.96 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 | |
| SCHEMBL9734192 | 0.96 | TSHR (0.96) | TSHRACHELMNANFE2L2ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110092759-A | The chloro- 2,4- pyrimidine derivatives of 5- as anti-tumor drug | 陆柯潮 | 2019-08-06 | — | — | CN | disclosed |
| CN-101432284-B | Dihydropyrazolopyrimidinone derivative | MSD KK | 2012-08-15 | — | — | CN | disclosed |
| CN-101541760-B | Diaminocyclohexane and diaminocyclopentane derivatives | HOFFMAN-LA ROCHE LTD. (CH) | 2012-02-08 | — | — | CN | disclosed |
| CN-101687789-A | Novel inhibitors hepatitis c virus replication | INTERMUNE INC | 2010-03-31 | — | — | CN | disclosed |
| CN-101541760-A | Diaminocyclohexane and diaminocyclopentane derivatives | HOFFMANN LA ROCHE (CH) | 2009-09-23 | — | — | CN | disclosed |
| CN-101432284-A | Dihydropyrazolopyrimidinone derivative | BANYU PHARMA CO LTD (JP) | 2009-05-13 | — | — | CN | disclosed |
| CN-101273026-A | Indane derivatives as MCH receptor antagonists | HOFFMANN LA ROCHE (CH) | 2008-09-24 | — | — | CN | disclosed |