Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL1890237 | 0.78 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL4327271 | 0.77 | MAOA (0.33) | MAOAMAOBKDM4E | |
| SCHEMBL229600 | 0.75 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL29133501 | 0.73 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL231682 | 0.73 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL10785400 | 0.69 | MAOA (0.40) | MAOAMAOBKDM4EDPP4ALDH1A1 | |
| SCHEMBL5908132 | 0.69 | — | — | |
| SCHEMBL10619976 | 0.68 | POLB (0.36) | G6PC1ALDH1A1EPHX1HPGD | |
| SCHEMBL10890773 | 0.67 | MAOA (0.41) | MAOAMAOBALDH1A1TSHRMEN1 | |
| SCHEMBL3062855 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4786751-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-22 | — | — | US | disclosed |
| US-4698424-A | POLYURETHANE LACQUERS | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-06 | — | — | US | disclosed |
| EP-0113044-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES, PROCESS FOR THEIR PRODUCTION, AS WELL AS THEIR USE IN THE PRODUCTION OF POLYURETHANES | BAYER AG (DE) | 1986-09-03 | — | — | EP | disclosed |
| EP-0113043-B1 | DIISOCYANATES OR MIXTURES OF DIISOCYANATES, METHOD FOR THEIR PREPARATION AND THEIR USE IN THE PREPRATION OF SYNTHETIC MATERIALS OF THE POLYURETHANE TYPE | BAYER AG (DE) | 1985-09-11 | — | — | EP | disclosed |
| EP-0113044-A2 | Diisocyanates or mixtures of diisocyanates, process for their production, as well as their use in the production of polyurethanes | BAYER AG (DE) | 1984-07-11 | — | — | EP | disclosed |
| EP-0113043-A1 | Diisocyanates or mixtures of diisocyanates, method for their preparation and their use in the prepration of synthetic materials of the polyurethane type | BAYER AG (DE) | 1984-07-11 | — | — | EP | disclosed |