Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27258724 | 0.97 | ACHE (0.69) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL29098233 | 0.94 | ACHE (0.65) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL27620404 | 0.94 | ACHE (0.65) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL27875251 | 0.94 | ACHE (0.65) | ACHETSHRLMNAALOX12HPGD | |
| P-Xylene SCHEMBL29155380 | 0.91 | ACHE (0.59) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL10710211 | 0.91 | ACHE (0.69) | ACHETSHRLMNAALOX12HPGD | |
| Benzenethiol SCHEMBL6553066 | 0.88 | ACHE (0.56) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL10802247 | 0.88 | ACHE (0.65) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL28207707 | 0.88 | ACHE (0.65) | ACHETSHRLMNAALOX12HPGD | |
| Toluene SCHEMBL28057944 | 0.88 | ACHE (0.50) | ACHETSHRLMNAALOX12HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101475517-B | Preparation of symmetrical disulfide bond-bearing compound | UNIV HENAN | 2012-08-15 | — | — | CN | disclosed |
| CN-101475517-A | Preparation of symmetrical disulfide bond-bearing compound | UNIV HENAN (CN) | 2009-07-08 | — | — | CN | disclosed |