Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.79 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.34 |
| ▸ | LTA | P01374 | 2/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL181372 | 0.93 | CYP3A4 (0.79) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| SCHEMBL29454984 | 0.93 | CYP3A4 (0.79) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| Toluene Diisocyanate SCHEMBL29350148 | 0.89 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| Toluene Diisocyanate SCHEMBL19733056 | 0.89 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| Toluene Diisocyanate SCHEMBL29737260 | 0.89 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| Toluene Diisocyanate SCHEMBL28174227 | 0.89 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| Toluene Diisocyanate SCHEMBL15384 | 0.89 | CYP3A4 (1.00) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| SCHEMBL29463953 | 0.89 | CYP3A4 (0.60) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| SCHEMBL484205 | 0.89 | CYP3A4 (0.60) | CYP3A4TRPA1ALDH1A1LMNATDP1 | |
| Toluene Diisocyanate SCHEMBL11209945 | 0.87 | CYP3A4 (0.96) | CYP3A4TRPA1ALDH1A1LMNATDP1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0742244-B1 | Durable polysulfide composition for optical material | MITSUI CHEMICALS INC (JP) | 2004-08-11 | — | — | EP | disclosed |
| CN-1146611-C | Polythiol, process for producing same, sulfur-containing urethane-base resin prepared from polythiol, process for producing the resin, and lens | ������ѹ��ѧ��ʽ���� | 2004-04-21 | — | — | CN | disclosed |
| CN-1090654-C | Resin composition based on polysulfide, resin based on polysulfide, and optical material containing said resin | MITSUI TOATSU CHEMICALS K K (JP) | 2002-09-11 | — | — | CN | disclosed |
| US-6100362-A | COMPRISING A POLYTHIOL HAVING FOUR OR MORE FUNCTIONAL GROUPS AND AT LEAST ONE ISOCYANATE SELECTED FROM POLYISOCYANATE COMPOUNDS, POLYISOTHIOCYANATE COMPOUNDS AND ISOCYANATO GROUP-CONTAINING POLYISOTHIOCYANATE COMPOUNDS; LENSES | MITSUI CHEMICALS, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| US-5955206-A | POLYTHIOETHERS AND ACRYLATE OR VINYL GROUPS FOR CURING TO FORM OPTICAL LENSES | MITSUI CHEMICALS, INC. (JP) | 1999-09-21 | — | — | US | disclosed |
| CN-1215737-A | Polythiol, process for producing same, sulfur-containing urethane-base resin prepared from polythiol, process for producing the resin, and lens | MITSUI TOATSU CHEMICALS (JP) | 1999-05-05 | — | — | CN | disclosed |
| WO-1999020668-A1 | HIGH REFRACTIVE INDEX OPHTHALMIC MATERIALS | TECHNOLOGY RESOURCE INTERNATIONAL CORPORATION (US) | 1999-04-29 | — | — | WO | disclosed |
| CN-1041917-C | Polythiol, process for producing the same, sulfur-containing polyurethane-based resin obtained therefrom, process for producing the same, and lens | MITSUI CHEMICALS INC (JP) | 1999-02-03 | — | — | CN | disclosed |
| US-5837797-A | CONDENSATION POLYMERIZING POLYTHIOL AND POLYISO(THIO)CYANATE MONOMERS TO MAKE POLYTHIOURETHANES AND POLYDITHIOCARBAMATES; REFRACTIVE INDEX, LIGHTWEIGHT, DYEABILITY, WEATHERPROOF, HEAT RESISTANCE, IMPACT STRENGTH | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-11-17 | — | — | US | disclosed |
| EP-0665219-B1 | Polythiol, process for producing same, sulfur-containing urethane-base resin prepared from the polythiol, process for producing the resin, and lens | MITSUI TOATSU CHEMICALS (JP) | 1998-04-22 | — | — | EP | disclosed |
| CN-1154983-A | Resin composition based on polysulfide, resin based on polysulfide, and optical material containing said resin | MITSUI TOATSU CHEMICALS K K (JP) | 1997-07-23 | — | — | CN | disclosed |
| US-5608115-A | Polythiol useful for preparing sulfur-containing urethane-based resin and process for producing the same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-03-04 | — | — | US | disclosed |
| EP-0742244-A2 | Durable polysulfide composition for optical material | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-11-13 | — | — | EP | disclosed |
| CN-1111619-A | Polythiol, process for producing the same, sulfur-containing polyurethane-based resin obtained therefrom, process for producing the same, and lens | MITSUI TOATSU CHEMICALS (JP) | 1995-11-15 | — | — | CN | disclosed |
| EP-0665219-A1 | Polythiol, process for producing same, sulfur-containing urethane-base resin prepared from the polythiol, process for producing the resin, and lens | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-08-02 | — | — | EP | disclosed |