Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PLEC | Q15149 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SELL | P14151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20261726 | 0.82 | MEN1 (0.58) | ALDH1A1HTTSMN1; SMN2POLBMEN1 | |
| SCHEMBL27779448 | 0.81 | NEU3 (0.52) | ALDH1A1HTTSMN1; SMN2POLBMEN1 | |
| SCHEMBL249982 | 0.80 | PDK1 (0.54) | ALDH1A1HTTSMN1; SMN2POLBMEN1 | |
| SCHEMBL10029200 | 0.78 | ALDH1A1 (0.69) | ALDH1A1HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28128427 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HTTSMN1; SMN2POLBMEN1 | |
| Hydrochloric Acid SCHEMBL9320200 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HTTSMN1; SMN2POLBMEN1 | |
| SCHEMBL28695020 | 0.72 | NEU3 (0.52) | ALDH1A1HTTSMN1; SMN2POLBMEN1 | |
| SCHEMBL20053685 | 0.72 | LTB4R (0.64) | ALDH1A1HTTPOLBMEN1KMT2A | |
| SCHEMBL16097703 | 0.72 | HDAC1 (0.50) | ALDH1A1HTTSMN1; SMN2POLBKMT2A | |
| Pyridine SCHEMBL5492642 | 0.71 | KDM5A (0.46) | ALDH1A1HTTSMN1; SMN2POLBMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2433633-A1 | Triazolyl alpha -mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2402011-A1 | Intermediates in the synthesis of S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2135608-A1 | S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |