Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL10618530 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11063061 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL5420729 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11062914 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL5246659 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11059361 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11059153 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11062438 | 0.98 | ALDH1A1 (0.43) | ALDH1A1TSHRTP53 | |
| SCHEMBL9459858 | 0.91 | — | — | |
| SCHEMBL466441 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0263481-B1 | PROCESS FOR THE PREPARATION OF ISOCYANATES | BAYER AG (DE) | 1992-01-02 | — | — | EP | disclosed |
| EP-0394759-A1 | Process for the preparation of prepolymers containing ester- and isocyanate groups and their use as a binder | BAYER AG (DE) | 1990-10-31 | — | — | EP | disclosed |
| US-4946990-A | CHEMICAL INTERMEDIATE FOR THE PRODUCTION OF POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-07 | — | — | US | disclosed |
| US-4886902-A | HEATING POLYISOCYANATE AND AMINE WITH SILYLATED HYDROXYL GROUP; REACTING ISOCYANATE-ACID HALIDE WITH PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-12 | — | — | US | disclosed |
| US-4870198-A | SILYLATED ALCOHOL OR CARBOXYL GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-26 | — | — | US | disclosed |
| US-4745212-A | ESTERIFICATION OR AMIDATION OF ISOCYANATOCARBOXYL CHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |
| EP-0263481-A2 | Process for the preparation of isocyanates | BAYER AG (DE) | 1988-04-13 | — | — | EP | disclosed |
| US-4009152-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |