Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 5/20 | 0.36 |
| ▸ | CES1 | P23141 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3310787 | 0.89 | ALDH1A1 (0.41) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL9624015 | 0.81 | DNM1 (0.43) | CES2CES1ALDH1A1KDM5AKDM4C | |
| SCHEMBL1277684 | 0.76 | CA12 (0.40) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL11066762 | 0.75 | CA12 (0.43) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL9792595 | 0.73 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL9846342 | 0.73 | ALDH1A1 (0.34) | CA12CA9ALDH1A1TSHR | |
| SCHEMBL3318245 | 0.73 | EPHX2 (0.40) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL11416931 | 0.73 | CES2 (0.34) | CA12CA1CA9CES2CES1 | |
| SCHEMBL25166796 | 0.72 | DNM1 (0.34) | CA12CA1CA9CES2CES1 | |
| SCHEMBL182567 | 0.70 | CA1 (0.61) | CA12CA1CA9MMP1MMP2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1318160-B1 | Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use | DEGUSSA (DE) | 2007-09-26 | — | — | EP | claimed |
| EP-1318152-B1 | Catalysts and process for preparing polyisocyanates containing isocyanurate groups | DEGUSSA (DE) | 2007-09-19 | — | — | EP | claimed |
| US-6875243-B2 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2005-04-05 | — | — | US | claimed |
| US-20030135007-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-07-17 | — | — | US | claimed |
| US-20030109665-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-06-12 | — | — | US | claimed |
| US-4412073-A | Isocyanurate preparation by catalytic, aminosilyl initiated cyclotrimerization of isocyanates | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1983-10-25 | — | — | US | claimed |
| US-6875243-B2 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2005-04-05 | — | — | US | disclosed |
| US-20030135007-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-07-17 | — | — | US | disclosed |
| US-20030109665-A1 | Catalysts for preparing polyisocyanates containing isocyanurate groups, and their use | DEGUSSA AG (DE) | 2003-06-12 | — | — | US | disclosed |
| US-5798431-A | Process for the production of polyisocyanates containing isocyanurate groups from aliphatic and aromatic isocyanate compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1998-08-25 | — | — | US | disclosed |
| US-4697014-A | Catalytic partial cyclotrimerization of polyisocyanates and product thereof | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1987-09-29 | — | — | US | disclosed |
| US-4675401-A | Process for preparing polyisocyanato/polyisocyanurates by catalytic cyclotrimerization of polyisocyanates | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1987-06-23 | — | — | US | disclosed |
| US-4537961-A | Catalytic cyclotrimerization of polyisocyanates | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1985-08-27 | — | — | US | disclosed |
| US-4412073-A | Isocyanurate preparation by catalytic, aminosilyl initiated cyclotrimerization of isocyanates | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1983-10-25 | — | — | US | disclosed |