Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 18/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL23275866 | 0.93 | SLC6A2 (0.32) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL19087025 | 0.87 | — | — | |
| SCHEMBL25557038 | 0.78 | SLC6A3 (0.39) | SLC6A3SLC6A4SLC6A2 | |
| Methyl Alcohol SCHEMBL27831139 | 0.76 | ALDH1A1 (0.36) | USP2ALDH1A1LMNACYP1A2TSHR | |
| Methyl Alcohol SCHEMBL28179853 | 0.76 | ALDH1A1 (0.36) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL153517 | 0.76 | ALDH1A1 (0.39) | USP2ALDH1A1LMNACYP1A2TSHR | |
| Cyclopentane SCHEMBL9063797 | 0.76 | ALDH1A1 (0.39) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL302071 | 0.76 | ALDH1A1 (0.39) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL22444527 | 0.76 | ALDH1A1 (0.39) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL2022361 | 0.76 | ALDH1A1 (0.39) | USP2ALDH1A1LMNACYP1A2TSHR |
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-0668271-B1 | Process for the preparation of isocyanurate-group containing polyisocyanates | BASF AG (DE) | 2002-01-16 | — | — | EP | disclosed |
| US-5489663-A | TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-06 | — | — | US | disclosed |
| EP-0668271-A1 | Process for the preparation of isocyanurate-group containing polyisocyanates | BASF Aktiengesellschaft (DE) | 1995-08-23 | — | — | EP | disclosed |