Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 5/20 | 0.33 |
| ▸ | PPARA | Q07869 | 5/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | MITF | O75030 | 2/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL11273409 | 0.92 | ROCK2 (0.41) | ROCK2PPARDPPARAPPARGMAPT | |
| SCHEMBL11268398 | 0.88 | ALDH1A1 (0.41) | ALDH1A1TDP1ROCK2PPARDPPARA | |
| SCHEMBL11266860 | 0.87 | PPARD (0.35) | ROCK2PPARDPPARAPPARGHCAR1 | |
| SCHEMBL11270305 | 0.87 | MAPT (0.39) | ALDH1A1PPARDPPARAPPARGHTT | |
| SCHEMBL11271704 | 0.86 | HTT (0.51) | ALDH1A1PPARDPPARAPPARGHTT | |
| SCHEMBL11276254 | 0.86 | HCAR1 (0.40) | ALDH1A1HTTSMN1; SMN2HCAR1POLB | |
| SCHEMBL11273387 | 0.85 | MEN1 (0.38) | ALDH1A1PPARDPPARAPPARGSMN1; SMN2 | |
| SCHEMBL11279667 | 0.82 | MAPT (0.46) | ALDH1A1PPARDPPARAPPARGHTT | |
| SCHEMBL11273757 | 0.82 | CYP11B2 (0.31) | — | |
| SCHEMBL11270653 | 0.82 | HTT (0.40) | PPARDPPARAPPARGHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4350701-A | 1-(Trihalomethyl-sulfenyl)-4-aryl-1,2,4-triazolin-5-ones, and process for controlling fungi | BASF AKTIENGESELLSCHAFT (DE) | 1982-09-21 | — | — | US | disclosed |