Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP7 known ✓ | P09237 | 1/20 | 0.47 |
| ▸ | MMP1 known ✓ | P03956 | 2/20 | 0.44 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.54 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6554000 | 0.96 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1MMP2 | |
| Tetramethylammonium Ion SCHEMBL8415515 | 0.91 | NPC1 (0.61) | NPC1ALDH1A1KDM4EHSD11B1MMP2 | |
| SCHEMBL6552546 | 0.82 | MMP2 (0.63) | ALDH1A1HSD11B1MMP2MMP7MMP14 | |
| SCHEMBL3671530 | 0.82 | NPC1 (0.69) | NPC1ALDH1A1KDM4EHSD11B1MMP2 | |
| SCHEMBL7401928 | 0.80 | NPC1 (1.00) | NPC1ALDH1A1KDM4EHSD11B1CYP3A4 | |
| SCHEMBL2027971 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1CYP3A4 | |
| SCHEMBL6554003 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1MMP2 | |
| SCHEMBL6554026 | 0.80 | NPC1 (0.67) | NPC1ALDH1A1KDM4EHSD11B1MMP2 | |
| SCHEMBL11106012 | 0.78 | NPC1 (0.65) | NPC1ALDH1A1KDM4EHSD11B1MMP2 | |
| SCHEMBL6203276 | 0.78 | HSD11B1 (0.83) | NPC1ALDH1A1KDM4EHSD11B1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6420083-B1 | EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER | FUJI PHOTO FILM CO., LTD. (JP) | 2002-07-16 | — | — | US | claimed |
| EP-1046496-A1 | Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates | FUJI PHOTO FILM CO., LTD. (JP) | 2000-10-25 | — | — | EP | claimed |
| EP-1046496-B1 | Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates | FUJI PHOTO FILM CO LTD (JP) | 2004-02-18 | — | — | EP | disclosed |
| US-6420083-B1 | EXCELLENT SENSITIVITY; DOES NOT REQUIRE WET DEVELOPMENT; HYDROPHILIC GROUPS IN POLYMER COORDINATE WITH THE POLYVALENT METAL CATION RELEASED BY HEAT AND FORM A HYDROPHOBIC POLYMER | FUJI PHOTO FILM CO., LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-1046496-A1 | Planographic printing plate precursor containing metal compounds, and process for producing planographic printing plates | FUJI PHOTO FILM CO., LTD. (JP) | 2000-10-25 | — | — | EP | disclosed |