Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 10/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LTA | P01374 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.33 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | RAD1 | O60671 | 1/20 | 0.33 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5657231 | 0.87 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1GLO1 | |
| SCHEMBL11299251 | 0.81 | CYP3A4 (0.56) | CYP3A4TRPA1TDP1MAPK1GLO1 | |
| SCHEMBL5654777 | 0.81 | TDP1 (0.42) | TDP1TSHRKDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL11299257 | 0.80 | CYP3A4 (0.54) | CYP3A4TRPA1TDP1MAPK1GLO1 | |
| SCHEMBL4154539 | 0.80 | TDP1 (0.41) | CYP3A4TRPA1TDP1MAPK1GLO1 | |
| SCHEMBL5654372 | 0.79 | LMNA (0.43) | CYP3A4TRPA1TDP1TSHRALDH1A1 | |
| SCHEMBL11299972 | 0.79 | CYP3A4 (0.53) | CYP3A4TRPA1TDP1MAPK1GLO1 | |
| SCHEMBL2143173 | 0.78 | GAA (0.44) | TDP1GLO1TSHRALDH1A1HPGD | |
| SCHEMBL8853900 | 0.77 | MAPK1 (0.58) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL11290732 | 0.75 | CYP3A4 (0.49) | CYP3A4TRPA1TDP1MAPK1GLO1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030274-B2 | Process for the production of carbodiimide modified organic isocyanates | BAYER MATERIALSCIENCE LLC (US) | 2006-04-18 | — | — | US | disclosed |
| US-20050282993-A1 | Process for the production of carbodiimide modified organic isocyanates | COVESTRO LLC | 2005-12-22 | — | — | US | disclosed |
| EP-1607425-A1 | Process for the production of carboiimide modified organic isocyanates | Bayer MaterialScience LLC (US) | 2005-12-21 | — | — | EP | disclosed |
| US-6362247-B1 | DEACTIVATION PHOSPHOLENE CATALYSTS | ROHM AND HAAS COMPANY | 2002-03-26 | — | — | US | disclosed |
| EP-1054029-A1 | Method of improving stability of aromatic polycarbodimides | ROHM AND HAAS COMPANY (US) | 2000-11-22 | — | — | EP | disclosed |
| CN-1273980-A | Method of improving stability of aromatic polycarbodi-imide | ROHM & HAAS (US) | 2000-11-22 | — | — | CN | disclosed |
| US-5045226-A | Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |
| EP-0232541-B1 | POLYISOCYANATE COMPOSITIONS CONTAINING LATENT TIN-CATALYSTS, THEIR USE IN THE PREPARATION OF POLYURETHANE RESINS AND REACTION PRODUCTS OF SULFONYL ISOCYANATES WITH SELECTED TIN COMPOUNDS | BAYER AG (DE) | 1990-10-24 | — | — | EP | disclosed |
| EP-0173252-B1 | PROCESS FOR THE PREPARATION OF OLIGOMERIC POLYISOCYANATES AND THEIR USE IN THE PREPARATION OF POLYURETHANE PLASTICS | BAYER AG (DE) | 1989-07-26 | — | — | EP | disclosed |
| US-4824595-A | Polyisocyanate compositions containing reversibly blocked catalysts and addition products of sulfonyl isocyanates with catalysts having a tin(II)- or tin(IV)-carboxylate structure | BAYER AKTIENGESELLSCHAFT (DE) | 1989-04-25 | — | — | US | disclosed |
| EP-0172379-B1 | MATERIAL FOR ORTHOPAEDIC BANDAGES | BAYER AG (DE) | 1989-04-19 | — | — | EP | disclosed |
| EP-0132675-B1 | PREPARATIONS OF POLYISOCYNATE CONTAINING REVERSIBLY BLOCKED CATALYSTS, PROCESS FOR THEIR PRODUCTION, THEIR USE IN THE PRODUCTION OF POLYURETHANES, AND ADDITION PRODUCTS OF SULFONYLISOCYANATES ON CATALYSTS WITH A STRUCTURE OF CARBOXYLATES OF TIN II OR IV | BAYER AG (DE) | 1988-12-07 | — | — | EP | disclosed |
| EP-0232541-A2 | Polyisocyanate compositions containing latent tin-catalysts, their use in the preparation of polyurethane resins and reaction products of sulfonyl isocyanates with selected tin compounds | BAYER AG (DE) | 1987-08-19 | — | — | EP | disclosed |
| US-4638795-A | FOR MEDICAL AND VETERINARY USE; BASED ON POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1987-01-27 | — | — | US | disclosed |
| US-4614785-A | TERTIARY PHOSPHINE OR PERALKYLATED PHOSPHORUS ACID TRIAMIDE CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-30 | — | — | US | disclosed |
| EP-0173252-A2 | Process for the preparation of oligomeric polyisocyanates and their use in the preparation of polyurethane plastics | BAYER AG (DE) | 1986-03-05 | — | — | EP | disclosed |
| EP-0172379-A1 | Material for orthopaedic bandages | BAYER AG (DE) | 1986-02-26 | — | — | EP | disclosed |
| EP-0132675-A2 | Preparations of polyisocynate containing reversibly blocked catalysts, process for their production, their use in the production of polyurethanes, and addition products of sulfonylisocyanates on catalysts with a structure of carboxylates of tin II or IV | BAYER AG (DE) | 1985-02-13 | — | — | EP | disclosed |