Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 3/20 | 0.52 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KDM4A | O75164 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL24430173 | 0.82 | NPC1 (0.53) | ALDH1A1POLBTRIM24PKMSMN1; SMN2 | |
| SCHEMBL24430193 | 0.82 | PKM (0.59) | ALDH1A1POLBTRIM24PKMSLC6A2 | |
| SCHEMBL10508408 | 0.81 | ALDH1A1 (0.47) | ALDH1A1POLBMAOACYP1A2ADRA2A | |
| SCHEMBL24430192 | 0.81 | EPHX1 (0.56) | ALDH1A1POLBPKMCYP1A2SLC6A2 | |
| SCHEMBL23055895 | 0.81 | TRIM24 (0.54) | ALDH1A1POLBTRIM24PKMMEN1 | |
| SCHEMBL19357202 | 0.80 | MAPT (0.60) | ALDH1A1TRIM24PKMMAPTMEN1 | |
| SCHEMBL24430169 | 0.77 | MAPT (0.68) | ALDH1A1SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL19674328 | 0.77 | TRIM24 (0.51) | ALDH1A1POLBTRIM24PKMMEN1 | |
| SCHEMBL19669652 | 0.75 | CYP1A2 (0.52) | ALDH1A1POLBMAOACYP1A2SMN1; SMN2 | |
| SCHEMBL27940529 | 0.74 | HDAC1 (0.50) | ALDH1A1HSP90AA1TLR9MAPTMEN1 |
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-103554008-A | 1,3-substituted-5-acetaminoindolone compounds and application thereof to anti-tumor drugs | UNIV TIANJIN SCIENCE & TECH | 2014-02-05 | — | — | CN | disclosed |
| EP-0268178-A1 | Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-05-25 | — | — | EP | disclosed |