Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MB | P02144 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11258892 | 0.79 | ALDH1A1 (0.51) | ADORA2BMEN1ALDH1A1KMT2AESR1 | |
| SCHEMBL11259021 | 0.78 | PPARA (0.42) | ADORA2BMEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL11257361 | 0.73 | MTNR1A (0.45) | ADORA2BMEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL11257688 | 0.71 | PPARA (0.42) | ADORA2BMEN1ALDH1A1KMT2AMAPT | |
| Acetaminophen SCHEMBL17114004 | 0.69 | KMT2A (0.91) | MEN1ALDH1A1KMT2AMAPTCA12 | |
| SCHEMBL16167713 | 0.68 | MTNR1A (0.48) | ADORA2BALDH1A1KMT2ANR1I2L3MBTL1 | |
| SCHEMBL2605857 | 0.68 | KMT2A (0.87) | MEN1ALDH1A1KMT2AMAPTCA12 | |
| SCHEMBL11251055 | 0.68 | ESR1 (0.44) | ADORA2BMEN1ALDH1A1KMT2AMAPT | |
| SCHEMBL27761990 | 0.67 | ALDH1A1 (0.51) | MEN1ALDH1A1KMT2AESR1SMN1; SMN2 | |
| SCHEMBL1808467 | 0.67 | MEN1 (0.64) | MEN1ALDH1A1KMT2AMAPTCA12 |
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-0015523-B1 | INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS | Dr. Karl Thomae GmbH (DE) | 1982-10-13 | — | — | EP | disclosed |
| US-4343811-A | ATHEROSCLEROSIS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-08-10 | — | — | US | disclosed |
| EP-0015523-A1 | Indole derivatives, their preparation and their use for medicaments | Dr. Karl Thomae GmbH (DE) | 1980-09-17 | — | — | EP | disclosed |