Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Allobarbital SCHEMBL35976 | 0.83 | LMNA (0.48) | ALDH1A1MMP9LMNACPT1A | |
| Buthalital SCHEMBL10712350 | 0.82 | MMP9 (0.38) | ALDH1A1MMP9NR1I2CYP3A4LMNA | |
| SCHEMBL10582778 | 0.81 | CPT1A (0.43) | ALDH1A1MMP9NR1I2CYP3A4LMNA | |
| Allobarbital SCHEMBL11484021 | 0.81 | LMNA (0.46) | ALDH1A1MMP9LMNACPT1A | |
| SCHEMBL2051800 | 0.80 | MMP9 (0.36) | ALDH1A1MMP9CPT1A | |
| SCHEMBL10583888 | 0.80 | MMP9 (0.41) | ALDH1A1MMP9CYP3A4LMNA | |
| SCHEMBL10580886 | 0.80 | MMP9 (0.40) | ALDH1A1MMP9NR1I2CYP3A4LMNA | |
| SCHEMBL10582806 | 0.78 | CPT1A (0.51) | ALDH1A1MMP9NR1I2CYP3A4LMNA | |
| SCHEMBL10582298 | 0.78 | NR1I2 (0.33) | ALDH1A1MMP9NR1I2CYP3A4LMNA | |
| SCHEMBL10580926 | 0.78 | CPT1A (0.51) | ALDH1A1MMP9NR1I2CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008153551-A1 | METHODS OF IDENTIFYING INSECT-SPECIFIC SPIDER TOXIN MIMICS | UNIVERSITY OF CONNECTICUT (US) | 2008-12-18 | — | — | WO | disclosed |
| US-4833148-A | ANTIISCHEMIA AGENTS | WASHINGTON UNIVERSITY (US) | 1989-05-23 | — | — | US | disclosed |
| US-RE30457-E | HISTAMINE RECEPTOR ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-12-23 | — | — | US | disclosed |
| US-4152453-A | HISTAMINE RECEPTOR ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-01 | — | — | US | disclosed |