Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.52 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.52 |
| ▸ | ITGAL | P20701 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11286897 | 0.80 | PDE7A (0.53) | PDE7AITGB2ICAM1ITGALCYP3A4 | |
| SCHEMBL13678418 | 0.78 | CYP1A2 (0.37) | CYP3A4MAPTKMT2AALOX15HPGD | |
| SCHEMBL3020630 | 0.77 | PDE7A (0.59) | PDE7AITGB2ICAM1ITGALCYP3A4 | |
| SCHEMBL2936768 | 0.76 | PDE7A (0.63) | PDE7AITGB2ICAM1ITGALCYP3A4 | |
| SCHEMBL7187676 | 0.76 | ITGB2 (0.80) | PDE7AITGB2ICAM1ITGALCYP3A4 | |
| SCHEMBL13678328 | 0.76 | HTT (0.38) | PDE7AALDH1A1NPSR1HTTGAA | |
| SCHEMBL20223481 | 0.76 | KCNQ3 (0.38) | PDE7AITGB2ICAM1ITGALCA2 | |
| SCHEMBL8087222 | 0.74 | PDE7A (0.61) | PDE7AITGB2ICAM1ITGALCYP3A4 | |
| SCHEMBL470962 | 0.73 | ALDH1A1 (0.48) | CYP3A4TSHRALDH1A1NPSR1MAPT | |
| SCHEMBL3249437 | 0.72 | PDE7A (0.59) | PDE7AITGB2ICAM1ITGALCYP3A4 |
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-5834494-A | SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-11-10 | — | — | US | disclosed |
| EP-0707581-B1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-02-26 | — | — | EP | disclosed |