Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12647914 | 0.92 | TSHR (0.38) | ALDH1A1TSHRGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7181702 | 0.78 | PGK1 (0.36) | ALDH1A1TSHRPOLBPGK1GRIN2D | |
| Propane SCHEMBL28497169 | 0.76 | MEN1 (0.33) | ALDH1A1POLBCYP3A4 | |
| SCHEMBL11678721 | 0.74 | ALDH1A1 (0.37) | ALDH1A1TSHRPOLBPGK1GRIN2D | |
| SCHEMBL1123974 | 0.74 | MAPT (0.39) | ALDH1A1TSHRPOLBGRIN2DGRIN3B | |
| SCHEMBL10083724 | 0.73 | TSHR (0.34) | ALDH1A1TSHRPOLBMITFLMNA | |
| SCHEMBL628550 | 0.73 | ALDH1A1 (0.41) | ALDH1A1TSHRPOLBGRIN2DGRIN3B | |
| SCHEMBL10074072 | 0.73 | HASPIN (0.40) | ALDH1A1TSHRPOLBPGK1GRIN2D | |
| SCHEMBL11497906 | 0.73 | TDP1 (0.47) | ALDH1A1TSHRPOLBGRIN2DGRIN3B | |
| SCHEMBL11679118 | 0.72 | PDE4A (0.38) | ALDH1A1LMNAMAPT |
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-110256360-B | Preparation method of 4, 6-dichloro-5-nitro-2- (propylmercapto) -pyrimidine | 浙江科技学院 | 2020-09-15 | — | — | CN | claimed |
| CN-110256360-B | Preparation method of 4, 6-dichloro-5-nitro-2- (propylmercapto) -pyrimidine | 浙江科技学院 | 2020-09-15 | — | — | CN | disclosed |
| CN-110256360-B | Preparation method of 4, 6-dichloro-5-nitro-2- (propylmercapto) -pyrimidine | 浙江科技学院 | 2020-09-15 | — | — | CN | disclosed |
| CN-110256360-B | Preparation method of 4, 6-dichloro-5-nitro-2- (propylmercapto) -pyrimidine | 浙江科技学院 | 2020-09-15 | — | — | CN | disclosed |