Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 4/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.35 |
| ▸ | ATIC | P31939 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | IDE | P14735 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5655083 | 0.88 | F2 (0.42) | F2PRSS1PRSS2PRSS3ATIC | |
| SCHEMBL1534409 | 0.82 | CYP3A4 (0.44) | CYP3A4POLBALDH1A1HPGDTDP1 | |
| SCHEMBL29370250 | 0.80 | CYP3A4 (0.62) | CYP3A4CYP1A2MEN1KMT2AALDH1A1 | |
| SCHEMBL22210 | 0.80 | CYP3A4 (0.62) | CYP3A4CYP1A2MEN1KMT2AALDH1A1 | |
| SCHEMBL7835222 | 0.77 | F2 (0.57) | CYP3A4F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28831497 | 0.74 | CYP3A4 (0.56) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| SCHEMBL6677573 | 0.73 | GAA (0.36) | CYP3A4F2PRSS1PRSS2PRSS3 | |
| SCHEMBL19578608 | 0.72 | CYP3A4 (0.50) | CYP3A4CYP1A2POLBMEN1KMT2A | |
| SCHEMBL5573537 | 0.72 | CYP3A4 (0.54) | CYP3A4ATICCYP1A2ALDH1A1ABCB11 | |
| SCHEMBL11015619 | 0.72 | CYP1A2 (0.34) | CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100513389-C | Improved process for the production of carbodiimide modifiedorganic isocyanates | BAYER MATERIALSCIENCE LLC (US) | 2009-07-15 | — | — | CN | disclosed |
| 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 |
| CN-1709863-A | Improved process for the production of carbodiimide modifiedorganic isocyanates | BAYER MATERIALSCIENCE LLC (US) | 2005-12-21 | — | — | CN | 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 |
| 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 |
| 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 |