Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL3307955 | 0.98 | NPC1 (0.47) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL18000304 | 0.92 | AHR (0.48) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL22728599 | 0.86 | ESR2 (0.40) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL3956097 | 0.86 | SLC6A2 (0.50) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL30461940 | 0.84 | SLC6A2 (0.46) | AHRNR4A2CYP2A6F7LTA4H | |
| Hydrochloric Acid SCHEMBL28061431 | 0.84 | SLC6A2 (0.49) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL4456373 | 0.84 | ESR2 (0.44) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL12455980 | 0.83 | HTR3A (0.49) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL14571687 | 0.82 | SLC6A4 (0.53) | HTR1DCHRM1DRD2KCNH2SLC6A2 | |
| Ethoxycarbonyl Group SCHEMBL28291591 | 0.81 | EPHX1 (0.39) | CYP2A6NPC1EPHX1MAPTRAB9A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3131660-A | — | — | None | — | — | JP | disclosed |
| EP-0487322-B1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS (JP) | 1996-07-31 | — | — | EP | disclosed |
| EP-0339887-B1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS (JP) | 1996-07-10 | — | — | EP | disclosed |
| EP-0368508-B1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5187283-A | Reacting indole(or derivatives) with organic hydroperoxide in presence of group 4,5 or 6 metals and removing water during reaction | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-02-16 | — | — | US | disclosed |
| EP-0487322-A1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-05-27 | — | — | EP | disclosed |
| US-5112987-A | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-05-12 | — | — | US | disclosed |
| JP-H03131660-A | PRODUCTION OF INDIGOS | MITSUI TOATSU CHEM INC | 1991-06-05 | — | — | JP | disclosed |
| US-4973706-A | OXIDATION OF INDOLE WITH HYDROPEROXIDE | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-11-27 | — | — | US | disclosed |
| CN-1042553-A | The preparation method of indigo compound | MITSUI TOATSU CHEMICALS (JP) | 1990-05-30 | — | — | CN | disclosed |
| EP-0368508-A2 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-05-16 | — | — | EP | disclosed |
| CN-1037527-A | The preparation method of indigo compound | MITSUI TOATSU CHEMICALS (JP) | 1989-11-29 | — | — | CN | disclosed |
| EP-0339887-A1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-11-02 | — | — | EP | disclosed |