Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CDC25A | P30304 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL14895621 | 0.91 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATDP1THRB | |
| Hexane SCHEMBL22134480 | 0.91 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATDP1THRB | |
| Hexane SCHEMBL5237862 | 0.91 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATDP1THRB | |
| Hexane SCHEMBL224276 | 0.91 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNATDP1THRB | |
| Tetrahydrofuran SCHEMBL27291524 | 0.90 | TSHR (0.57) | ALDH1A1TSHRLMNATDP1THRB | |
| Hexane SCHEMBL7795120 | 0.89 | ALDH1A1 (0.35) | ALDH1A1TSHRLMNATDP1PLA2G1B | |
| Heptane SCHEMBL538473 | 0.88 | TSHR (0.50) | ALDH1A1TSHRLMNATHRBEPHX1 | |
| Octane SCHEMBL4626385 | 0.88 | TSHR (0.50) | ALDH1A1TSHRLMNATHRBEPHX1 | |
| Hexane SCHEMBL5304985 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNATDP1THRB | |
| Dioxane SCHEMBL9133558 | 0.88 | TSHR (0.45) | ALDH1A1TSHRLMNATDP1THRB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080281091-A1 | Process for the Preparation of Porphyrin Derivatives as Antimicrobial Agents by Photodynamic Therapy (Pdt) | BRUNDISH DEREK | 2008-11-13 | — | — | US | disclosed |
| EP-0512352-B1 | Substituted carboxylic acid derivatives | HOFFMANN LA ROCHE (CH) | 1996-03-27 | — | — | EP | disclosed |
| US-5447945-A | Controlling or preventing nematocidal attack on cultivated plants with nitro- or halo-substituted benzisothiazoles | CIBA-GEIGY CORPORATION (US) | 1995-09-05 | — | — | US | disclosed |
| EP-0664791-A1 | PROCESS FOR THE PREPARATION OF OXIME DERIVATIVES, CERTAIN INTERMEDIATES AND THE USE OF THE OXIME DERIVATIVES AS FUNGICIDES | ZENECA LIMITED (GB) | 1995-08-02 | — | — | EP | disclosed |
| US-5344843-A | Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders | HOFFMAN-LA ROCHE INC. (US) | 1994-09-06 | — | — | US | disclosed |
| WO-1994008948-A2 | PROCESS FOR THE PREPARATION OF OXIME DERIVATIVES, CERTAIN INTERMEDIATES AND THE USE OF THE OXIME DERIVATIVES AS FUNGICIDES | ZENECA LIMITED (GB) | 1994-04-28 | — | — | WO | disclosed |
| US-5169951-A | PROCESS FOR PREPARING NEMATICIDAL COMPOSITIONS | CIBA-GEIGY CORPORATION (US) | 1992-12-08 | — | — | US | disclosed |
| EP-0512352-A2 | Substituted carboxylic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-11 | — | — | EP | disclosed |