Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL2354925 | 0.83 | NR4A2 (0.40) | ALDH1A1LMNATSHRCTSLCTSS | |
| Thiobenzoic Acid SCHEMBL28164247 | 0.83 | NR4A2 (0.40) | ALDH1A1LMNATSHRCTSLCTSS | |
| Thiobenzoic Acid SCHEMBL2591799 | 0.80 | MAPT (0.40) | POLBALDH1A1LMNASMN1; SMN2RAB9A | |
| Thiobenzoic Acid SCHEMBL23112247 | 0.78 | MAPT (0.39) | POLBALDH1A1LMNASMN1; SMN2TSHR | |
| Thiobenzoic Acid SCHEMBL29035868 | 0.77 | CES2 (0.38) | ALDH1A1LMNANPC1RAB9AKCNH2 | |
| Thiobenzoic Acid SCHEMBL2772010 | 0.76 | ALDH1A1 (0.36) | POLBALDH1A1LMNASMN1; SMN2RAB9A | |
| Thiobenzoic Acid SCHEMBL16210786 | 0.76 | ALDH1A1 (0.40) | POLBALDH1A1LMNASMN1; SMN2NPC1 | |
| Thiobenzoic Acid SCHEMBL2370364 | 0.76 | KMT2A (0.39) | SLC6A3POLBALDH1A1LMNANPC1 | |
| Thiobenzoic Acid SCHEMBL11284334 | 0.75 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2NPC1RAB9A | |
| Thiobenzoic Acid SCHEMBL5082063 | 0.75 | KMT2A (0.32) | ALDH1A1CTSL |
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-117343253-A | ROS responsive polymer capable of crossing BSCB to treat spinal cord injury, and preparation and application thereof | 中山大学附属第三医院 | 2024-01-05 | — | — | CN | claimed |