Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | BAD | Q92934 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 4/20 | 0.35 |
| ▸ | RXRB | P28702 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325790 | 0.89 | ALDH1A1 (0.43) | ALDH1A1ALOX15TSHRNR4A1NR4A2 | |
| SCHEMBL7417670 | 0.85 | HTR1A (0.34) | ALDH1A1HTR1AADRA2ASLC6A2SLC6A4 | |
| SCHEMBL7526110 | 0.76 | BCL2L1 (0.48) | ALDH1A1ALOX15HTR1AADRA2ASLC6A2 | |
| SCHEMBL3613341 | 0.73 | CXCR5 (0.53) | ALDH1A1ALOX15CXCR5GFERMEN1 | |
| SCHEMBL29493191 | 0.73 | CXCR5 (0.56) | ALDH1A1ALOX15CXCR5GFERMEN1 | |
| SCHEMBL783869 | 0.73 | CXCR5 (0.56) | ALDH1A1ALOX15CXCR5GFERMEN1 | |
| SCHEMBL28195045 | 0.73 | PARP1 (0.50) | ALDH1A1ALOX15TSHRKDM4EHPGD | |
| Phthalic Acid SCHEMBL27608269 | 0.72 | ALDH1A1 (0.64) | ALDH1A1ALOX15CXCR5MEN1KMT2A | |
| SCHEMBL7425526 | 0.72 | AKR1C3 (0.41) | ALDH1A1MEN1KMT2ATSHRNR4A1 | |
| SCHEMBL7325775 | 0.72 | ALDH1A1 (0.41) | ALDH1A1ALOX15L3MBTL1TSHRNR4A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127379-A | TREATING IRRITABLE BOWEL SYNDROME, URINARY INCONTINENCE, ATRIAL ARRHYTHMIA OR STROKE | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-10-03 | — | — | US | disclosed |
| US-5968954-A | EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS | ADIR ET COMPAGNIE (FR) | 1999-10-19 | — | — | US | disclosed |
| EP-0625149-A1 | BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993016072-A1 | BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-08-19 | — | — | WO | disclosed |