Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.72 |
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | TPMT | P51580 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.62 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL28051119 | 0.98 | SMPD1 (0.75) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL9305512 | 0.98 | SMPD1 (0.75) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL28604170 | 0.98 | SMPD1 (0.75) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL3884522 | 0.97 | SMPD1 (0.68) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL2329752 | 0.94 | TSHR (0.74) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL18682279 | 0.92 | PLA2G4B (0.74) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL2312195 | 0.92 | PLA2G4B (0.74) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL7273205 | 0.92 | PLA2G4B (0.74) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL9307551 | 0.92 | PLA2G4B (0.74) | SMPD1CA12CA1CA2CA4 | |
| SCHEMBL16077692 | 0.92 | PLA2G4B (0.74) | SMPD1CA12CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2136624-A1 | ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS | Emisphere Technologies, Inc. (US) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008116141-A1 | ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS | EMISPHERE TECHNOLOGIES, INC. (US) | 2008-09-25 | — | — | WO | disclosed |
| US-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |