Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | STS | P08842 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9417503 | 0.84 | KMT2A (0.66) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL29504635 | 0.83 | CA1 (0.79) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL11888409 | 0.82 | STAT3 (0.56) | KMT2ACA2CA1CA9CA12 | |
| SCHEMBL63779 | 0.82 | KMT2A (0.64) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL11292601 | 0.82 | KMT2A (0.64) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL87450 | 0.81 | CA1 (0.83) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| Potassium Ion SCHEMBL1823369 | 0.81 | KMT2A (0.62) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL30606403 | 0.81 | KMT2A (0.62) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL9306684 | 0.81 | KMT2A (0.67) | LMNACYP1A2CYP3A4MAOAKMT2A | |
| SCHEMBL1823370 | 0.81 | KMT2A (0.62) | LMNACYP1A2CYP3A4MAOAKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0061013-B1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES | BAYER AG (DE) | 1984-06-27 | — | — | EP | disclosed |
| US-4386033-A | BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION | BAYER AKTIENGESELLSCHAFT (DE) | 1983-05-31 | — | — | US | disclosed |
| EP-0054817-A2 | Process for the continuous thermal decomposition of esters of carbamic acids and use of mixtures of esters of carbamic acids and isocyanates obtained by this process for the preparation of isocyanates | BAYER AG (DE) | 1982-06-30 | — | — | EP | disclosed |