Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | GHSR | Q92847 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL188098 | 0.89 | ENPP2 (0.60) | ALDH1A1KDM4EENPP2HPGDTDP1 | |
| SCHEMBL29275179 | 0.86 | ESR1 (0.52) | ALDH1A1KDM4EENPP2HPGDHSD17B10 | |
| SCHEMBL6002245 | 0.82 | KMT2A (0.70) | ALDH1A1KDM4EHPGDTDP1KMT2A | |
| SCHEMBL20765500 | 0.80 | MAPK14 (0.70) | ALDH1A1KDM4EENPP2HPGDHSD17B10 | |
| SCHEMBL827892 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KDM4EENPP2HPGDHSD17B10 | |
| SCHEMBL11862997 | 0.79 | KMT2A (0.66) | ALDH1A1KDM4EHPGDTDP1KMT2A | |
| SCHEMBL2706461 | 0.79 | KMT2A (0.66) | ALDH1A1KDM4EHPGDTDP1KMT2A | |
| SCHEMBL12480715 | 0.78 | KMT2A (0.53) | ALDH1A1KDM4EHPGDTDP1KMT2A | |
| SCHEMBL23397120 | 0.78 | TDP1 (0.60) | ALDH1A1KDM4EHPGDTDP1KMT2A | |
| SCHEMBL11609158 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KDM4EENPP2HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6211223-B1 | BENZODIOXOL-5-YL-2-METHOXY-4-METHYLPHENYLSULFONYLAMINO-2-OXO ETHYL-1-METHYL-1HINDOLE-6-CARBOXYLIC ACID | PFIZER INC. | 2001-04-03 | — | — | US | disclosed |
| WO-1999020623-A1 | INDOLE DERIVATIVE USEFUL AS ENDOTHELIN RECEPTOR ANTAGONIST | PFIZER LIMITED (GB) | 1999-04-29 | — | — | WO | disclosed |